travers_2026_trecx
==================

J\. C\. Travers, single\-active\-electron TDSE calculations of the ionisation yields of Ar and He with tRecX \(A\. Scrinzi, Comp\. Phys\. Comm\. 270, 108146 \(2022\)\), unpublished \(2026\)

`Source record <https://github.com/LupoLab/optmat/blob/main/src/optmat/data/sources/travers_2026_trecx.toml>`__ · :doc:`Catalogue </the-data/sources>` · :doc:`Review register </register>`

No DOI is recorded.

**Source kind:** theory

**Recorded technique:** Numerical solution of the time\-dependent Schrodinger equation of one active electron in a model potential \(Tong and Lin's, tong\_2005 Table 1\: Ar 3p with m = 0 and with m = 1, He 1s\) with tRecX\: velocity gauge, linear polarisation, 30 associated Legendre functions in the polar angle \(l up to 29 for m = 0\), finite elements in r \(orders 14 and 12 on \[0, 2\], \[2, 20\] and \[20, BOX\] bohr, BOX = 80 for Ar and 80\-180 for He\), infinite\-range exterior complex scaling from BOX \(angle 0\.3 for Ar, 0\.15 for He\), fixed\-step RK4 \(0\.015 au for Ar, 0\.0283\-0\.0129 au for He\)\. Pulses at 800 nm with the envelope on the vector potential, A\(t\) = \(E0/omega\) g\(t\) sin\(omega t\), g a Gaussian or cos^8, both of 6\.0 fs full width at half maximum of the intensity envelope g^2; the field's largest maximum E0 is at the peak of the envelope \(carrier\-envelope phase 0\)\. Ten peak intensities per target, 1\.69e13\-8\.44e14 W/cm^2 \(Ar\) and 1e14\-5e15 W/cm^2 \(He\)\. The yield is read at the end of the pulse in three ways \(the notes\)\.

**Materials in structured entries:** Ar, H, He, Kr, Xe

**Dataset quantities:** ground\_state\_survival, ionization\_rate, ionization\_yield

**Contents:** 89 datasets; 0 formulas.

Curation notes
--------------

UNPUBLISHED CALCULATIONS OF J\. C\. TRAVERS, TIER 3\: validators only \(use = check\), ranked below published calculations and measurements; nothing is fitted to them \(as the curators' notes set out\)\. There is no paper and no library entry\: the result tables, the scripts that made them, the 51 inputs as run and the runs' READMEs are archived in data/external/trecx, whose PROVENANCE\.md gives the code's version, the date of the runs \(11 June 2026\), the sha256 of every file, what was checked and the caveats\. The data files are written from ar\_results\.csv and he\_results\.csv there by tools/extract/travers\_2026\_trecx\.py, the numbers kept as the tables' strings \(four significant digits\)\.

THE CODE\. tRecX \(A\. Scrinzi, Comp\. Phys\. Comm\. 270, 108146 \(2022\), doi\:10\.1016/j\.cpc\.2021\.108146, as the code's README cites it\), upstream master fd6da402 \(30 June 2025\) with two local commits of J\. C\. Travers's; the executable was built from the first of them \(05f9cdea\) with uncommitted changes of pulse\.cpp, pulse\.h and run\_trecx\.cpp, presumably those committed ten minutes later as 96bc605d \('arbitrary field loading'\); not checked to be identical\. The pulse each run used was checked on the field it wrote\.

THE MODEL\. One electron in Tong and Lin's potential; the ionisation energy is the model's, the energy of the initial state\: Ar 3p 0\.579689 au \(15\.774 eV; NIST 15\.7596 eV\), He 1s 0\.903801 au \(24\.594 eV; NIST 24\.5874 eV\)\. No other electron, no polarisation of the core, no spin\-orbit splitting\. A yield here is the probability that the one electron of the one orbital \(one m\) has left\. It is NOT the yield of the atom\: that needs a rule for the two 1s electrons of He, or the two m = 0 and four \|m\| = 1 electrons of Ar 3p, which is a model and is not part of this record\.

THE PULSE AND THE INTENSITY\. 'I' is the intensity of a continuous wave with the amplitude E0 of the field's largest maximum, E0 = sqrt\(I / 3\.50945e16 W/cm^2\) au\. The envelope is on the vector potential, so the field is not E0 g\(t\) cos\(omega t\) \(the difference is up to 7 % of E0 in the wings of this 2\.25\-cycle pulse\)\. pulse\_fs = 6 is the full width at half maximum of the intensity envelope g\(t\)^2, for the Gaussian and for cos^8 alike \(cos^8 has the support \-666\.65 to 666\.65 au\)\. One carrier\-envelope phase only\: a few\-cycle yield depends on it, and no average over it was made\.

THE THREE YIELDS\. chi\-loss\: 1 \- \<chi\[0,20\]\>, the population beyond 20 bohr at the end of the run; it counts bound excited \(Rydberg\) population beyond 20 bohr as ionised and misses slow electrons still inside\. norm\-loss\: 1 \- \<norm\>, what the complex scaling absorbed beyond BOX by the end of the run\. iSurff\: the integral of the photoelectron spectrum of a cos^8 run \(the continuum only; tRecX's iSurff needs a pulse of finite support\)\. In the tables the iSurff yield is 0\.64\-0\.96 of the chi\-loss of the same run and the norm\-loss 0\.71\-1\.00 of it, the differences largest at the low yields\: the spread of the three is the least uncertainty of 'the yield'\. The propagation ends with the pulse \(Gaussian\: at 3 FWHM, the field 2e\-6 of its peak\)\. The iSurff yield is biased low, not only spread\: these runs keep the potential's Coulomb tail at the tSurff surface, which tSurff assumes free of potential \(TC\-703\)\.

UNCERTAINTY\: NOT STATED, AND NOT KNOWN\. No convergence runs are retained \(one discretisation per run\); the runs' READMEs state that iSurff changes by less than 1 % from 30 to 40 angular functions, and that the He yield at 5e15 W/cm^2 is 96\.5 % with BOX = 160 and 96\.2 % with 180, without files to show it\. What the tables show\: the chi\-loss of the cos^8 and the Gaussian runs agree to 1\.6 % for yields above 1e\-7 and to 7 % at 1e\-8\.

EXCLUDED ROWS\. \(1\) The noise floor of the chi\- and norm\-loss, each 1 minus a number close to 1\: He at the two lowest intensities \(rows 0 and 1\) and Ar m = 1 at the lowest \(row 0\)\. \(2\) The two highest He intensities \(rows 8 and 9\), whose runs warn 'norm\>1, possible instability' 1973 and 2902 times, the norm reaching 3\.16 and 3\.41 during the pulse\. The datasets give the numbers\. The iSurff yields have no such floor and none is excluded, but the smallest \(He 1\.2e\-09, Ar m = 1 1\.1e\-10\) have nothing to check them against\.

NOT CURATED\: the chi\- and norm\-loss of the cos^8 runs \(they duplicate the Gaussian runs' to the figures above\), the shell and m\-averaged combinations of ar\_results\.csv \(a model of the atom\), and the auxiliary runs of aux\_runs\.csv \(10 fs cos^8 pulses and fields from files; not archived\)\.

THE 42 FS ARGON RUNS \(September 2026; TC\-702\)\. Ar 3p, m = 0, the same model and discretisation, in Wahlstrand et al\.'s pulse\: a Gaussian of 42 fs full width at half maximum of the intensity on the vector potential, 17 peak intensities from 4\.0e13 to 1\.35e14 W/cm^2, then 1500 au without field; a later build of tRecX that adds the bi\-orthogonal populations of the field\-free bound states \(PROVENANCE\.md, which also gives the checks\)\. The yield curated is the ionised fraction, 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse, which separates the continuum from the excited states \(1\.2 to 30 % of it\); unlike the 6 fs yields it has convergence runs \(angular functions, radial elements and order, box, step, ECS angle, cutEnergy, operator threshold\) at three intensities, whose largest change is its stated uncertainty\. It is one\-sided low by about 3 % at 4\.0e13 and 1\.5 % at 7\.8e13 W/cm^2 \(cutEnergy, converging\) and may be high by up to 0\.7 % \(the n = 11 shell\)\. The ionisation energy is the model's, 0\.579689 au, as for the 6 fs runs\.

THE 6 FS RUNS AGAIN \(September 2026; TC\-812\)\. The three 6 fs Gaussian scans repeated with the build of the 42 fs runs, the pulse from a file, 1000 au without field after it and cutEnergy 100 \(He rows 0 to 7 only\)\: ionised\_gauss6\_Ar\_m0, ionised\_gauss6\_Ar\_m1 and ionised\_gauss6\_He, the ionised fraction as for the 42 fs runs, with convergence runs at three or four intensities per family \(0\.05 to 1\.8 %\)\. They supersede the June datasets above as the 6 fs yield\: the chi\-loss is 1\.0 to 1\.46 times the ionised fraction, the norm\-loss 1\.0 to 1\.10 times and iSurff 0\.82 to 1\.02 times, and June's He rows 0 to 2 are mostly numerical loss\. The June datasets are kept as published\.

THE STATIC RATES \(September 2026; TC\-813\)\. static\_Ar\_m0 and static\_Ar\_m1\: the rate \-2 Im E of the complex\-scaled resonance of the same argon electron in a static field, at Zhang et al\.'s fields up to 0\.2 au, with convergence \(0\.006 to 7\.7 %\)\.

AT 400 NM \(October 2026; TC\-824\)\. ionised\_gauss10\_400nm\_Ar\_m0 and \_m1\: the A2 set\-up with a 10 fs Gaussian at 400 nm, ten intensities from 3e13 to 1\.5e15 W/cm^2, the ionised fraction with convergence runs \(0\.05 to 0\.32 %\)\.

AT 1030 NM \(October 2026; TC\-826\)\. ionised\_gauss10\_1030nm\_Ar\_m0 and \_m1\: the same 10 fs Gaussian at 1030 nm, ten intensities from 1e13 to 5e14 W/cm^2, the ionised fraction with convergence runs \(0\.22 to 4\.2 % above the floor; rows below it excluded\)\.

AT 800 NM WITH THE 10 FS PULSE \(October 2026; TC\-830\)\. ionised\_gauss10\_800nm\_Ar\_m0 and \_m1\: the same 10 fs Gaussian at 800 nm \(3\.75 cycles\), ten intensities from 1\.5e13 to 8e14 W/cm^2, so that the three wavelengths share one pulse; convergence 0\.096 to 2\.3 %\.

WALLACE ET AL\.'S PULSE \(October 2026; TC\-836\)\. ionised\_wallace\_cep0\_Ar\_m0, \_m1 and ionised\_wallace\_cep90\_Ar\_m0, \_m1\: a 5\.5 fs Gaussian at 800 nm \(Wallace et al\. 2016's pulse\), carrier\-envelope phases 0 and pi/2, twelve intensities from 5e13 to 6e14 W/cm^2; convergence 0\.33 to 1\.5 % \(phase 0's, for both\)\.

ATOMIC HYDROGEN \(October 2026; TC\-843\)\. ionised\_gauss15\_400nm\_H and \_800nm\_H\: H 1s in the bare Coulomb potential, a 15 fs Gaussian at 400 and 800 nm, ten intensities from 5e13 to 3e14 W/cm^2; convergence 0\.002 to 0\.06 %\.

A 30 FS PULSE AT 400 AND 1030 NM \(October 2026; TC\-844\)\. ionised\_gauss30\_400nm\_Ar\_m0, \_m1 and ionised\_gauss30\_1030nm\_Ar\_m0, \_m1\: the 400 and 1030 nm set\-ups and intensities with a 30 fs Gaussian; convergence 0\.14 to 4\.1 % above the floor\.

KRYPTON AND XENON \(October 2026; TC\-845\)\. ionised\_gauss6\_Kr\_m0 and \_Xe\_m0\: Kr 4p and Xe 5p \(m = 0, one active electron\) in zhang\_2014's potentials, A2's 6 fs pulse and ten intensities at 800 nm; static\_Kr\_m0 and static\_Xe\_m0, their static rates at 0\.03 to 0\.10 au\. Convergence 0\.1 to 1\.5 %\.

KRYPTON IN WALLACE ET AL\.'S PULSE \(October 2026; TC\-846\)\. ionised\_wallace\_cep0\_Kr\_m0 and \_cep90\_Kr\_m0\: Kr 4p, m = 0, in the potential of ionised\_gauss6\_Kr\_m0, Wallace et al\.'s 5\.5 fs pulse at phases 0 and pi/2 and twelve intensities from 5e13 to 6e14 W/cm^2; convergence 0\.27 to 0\.73 %\.

THE ARGON ATOM IN HACC AND ONE ELECTRON AT ITS IONISATION ENERGY \(October 2026; TC\-847\)\. hacc\_normloss\_gauss6\_Ar\_c4 and \_c3\: the norm\-loss of the argon atom \(all electrons, antisymmetrised; haCC with the Ar\_qz data set, 4 or 3 ion channels, mMax 0\) in A2's 6 fs pulse at three intensities\. normloss\_ipmatched\_\* and ionised\_ipmatched\_\*\: one electron in Tong and Lin's potential scaled to haCC's ionisation energies \(0\.560275 and 0\.563940 au\), the same pulse and intensities, m = 0 and m = 1\.

XENON IN WALLACE ET AL\.'S PULSE \(October 2026; TC\-849\)\. ionised\_wallace\_cep0\_Xe\_m0 and \_cep90\_Xe\_m0\: Xe 5p, m = 0, in the potential of ionised\_gauss6\_Xe\_m0, the same pulse, phases and intensities; convergence 0\.03 to 1\.2 %\. 23 of the phase\-0 runs were continued from their checkpoints after a time limit\.

ONE ELECTRON IN PUBLISHED SIN^2 PULSES \(October 2026; TC\-858\)\. outside20\_sin2\_\* and ionised\_sin2\_\*\: argon \(Tong and Lin's and Pathak et al\.'s Muller\-Kooiman potentials\), krypton and helium in the pulses of Pathak et al\. 2020 and 2022 and Sato et al\. 2016 and 2018, read with their measure \(the probability outside 20 au at the end of the pulse\) and as the ionised fraction; m = 0 and m = 1; convergence 0\.09 to 1\.3 %\.

THE ARGON ATOM AT 20 FS \(October 2026; TC\-861\)\. hacc\_normloss\_gauss20\_Ar\_c3 and hacc\_normloss\_gauss6\_Ar\_c3m1\: haCC's argon \(3 channels\) in a 20 fs pulse, and with mMax 1 at 6 fs; normloss\_ and ionised\_ipmatched\_c3\_\* and \_c3\_20fs\_\*\: one electron at the 3\-channel set\-up's own ionisation energy in both pulses\.

HELIUM WITH TWO ACTIVE ELECTRONS AT 390 NM \(October 2026; TC\-1050\)\. twoelectron\_normloss\_\*\: the whole atom in A2's 6 fs pulse at 390 nm, 5\.69e14 and 3\.68e14 W/cm^2 \(and BOX 60, \|m\| \<= 2 at 5\.69e14\); hacc\_normloss\_gauss6\_390nm\_He\: haCC's helium in the same pulse; normloss\_ and ionised\_ipmatched\_390nm\_\*\: one electron at three ionisation energies\. Convergence\: two electrons 5\.9 % \(the box\), haCC 2\.1 %, one electron 1\.7 % \(ionised fraction\) and 5 % \(norm\-loss, the box\)\. The norm\-loss of two electrons depends on the box by construction \(each larger box keeps another Rydberg shell bound\), while haCC's does not \(its bound states are converged at 40 bohr\)\: the two measure different things, and the two\-electron basis lies about 3 % above its angular limit\. The matched, box\-converged measures are travers\_2026\_pyroraptor's \(TC\-1092\)\.

XENON IN RMT'S PULSE \(part N; October 2026; TC\-1093\)\. ground\_survival\_rmtpulse\_m{0,1}\_Xe and \_unscaled\: the 5p population at 3000 au of one electron in hartmann\_2022's field, at its seven intensities \(the RMT ground state's energy, \-0\.444 au, and part G's own, \-0\.4448129 au, at three\); hartmann\_2022's measure, for the atom against one electron\.

Datasets
--------

travers\_2026\_trecx/chi\_gauss\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "chi_gauss_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__chi_gauss_Ar_m0.csv",
     "table": "data/external/trecx/ar_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "chi-loss: 1 - <chi[0,20]>, the population beyond 20 bohr at the end of the run",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 \(the orbital along the field\) in Tong and Lin's potential, one active electron\: the chi\-loss 1 \- \<chi\[0,20\]\> at the end of the run \(t = \+3 FWHM = 744\.14 au\)\: the population beyond 20 bohr, which includes bound excited \(Rydberg\) population out there and misses slow electrons still inside\. Runs ar\_scan\_NN, NN the row; 800 nm, a Gaussian envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr, angle 0\.3, step 0\.015 au\. The abscissa is the peak intensity, 1\.6881e13 to 8\.4407e14 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\.

travers\_2026\_trecx/norm\_gauss\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "norm_gauss_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__norm_gauss_Ar_m0.csv",
     "table": "data/external/trecx/ar_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "norm-loss: 1 - <norm>, the population absorbed by the exterior complex scaling by the end of the run",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 \(the orbital along the field\) in Tong and Lin's potential, one active electron\: the norm\-loss 1 \- \<norm\> at the end of the run \(t = \+3 FWHM = 744\.14 au\)\: the population absorbed by the complex scaling beyond BOX; a lower bound of what has left, as electrons between the atom and BOX are not counted\. Runs ar\_scan\_NN, NN the row; 800 nm, a Gaussian envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr, angle 0\.3, step 0\.015 au\. The abscissa is the peak intensity, 1\.6881e13 to 8\.4407e14 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\.

travers\_2026\_trecx/isurff\_cos8\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "isurff_cos8_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__isurff_cos8_Ar_m0.csv",
     "table": "data/external/trecx/ar_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "cos8",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "iSurff: the integral of the photoelectron spectrum, int sigma(k) k^2 dk",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 \(the orbital along the field\) in Tong and Lin's potential, one active electron\: the integral of the iSurff photoelectron spectrum, int sigma\(k\) k^2 dk \(trapezoid rule over tRecX's spec\_total\)\: the population of the continuum alone, without bound excited states\. Seven intensities only \(rows 0\-6\)\. Runs ar\_isurff\_NN, NN the row; 800 nm, a cos^8 envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr, angle 0\.3, step 0\.015 au\. The abscissa is the peak intensity, 1\.6881e13 to 8\.4407e14 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\. The spectrum is cut at the largest momentum written, where the integrand is 2\.7 % of its maximum for rows 0 and 1 and 0\.5 % for row 2 \(less above\)\. Biased low \(TC\-703\)\: the run keeps the potential's Coulomb tail at the tSurff surface, which tSurff assumes free of potential; in the 42 fs argon runs the same set\-up made iSurff 1\.4 to 23 % lower than the ionised fraction, and 0\.04 to 0\.15 % lower with the tail switched off before the surface\.

travers\_2026\_trecx/chi\_gauss\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "chi_gauss_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__chi_gauss_Ar_m1.csv",
     "table": "data/external/trecx/ar_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "At the noise floor of 1 - <~1>: the loss before the pulse (t = -450 au) is already 1.2e-10, the yield 7.9e-10 (chi) and 7.5e-10 (norm), and the iSurff yield of the cos8 run at this intensity is 1.1e-10, 0.15 of that run's chi-loss where the other rows have 0.64-0.96."
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "chi-loss: 1 - <chi[0,20]>, the population beyond 20 bohr at the end of the run",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 \(one of the two orbitals across the field\) in Tong and Lin's potential, one active electron\: the chi\-loss 1 \- \<chi\[0,20\]\> at the end of the run \(t = \+3 FWHM = 744\.14 au\)\: the population beyond 20 bohr, which includes bound excited \(Rydberg\) population out there and misses slow electrons still inside\. Runs ar\_m1\_NN, NN the row; 800 nm, a Gaussian envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr, angle 0\.3, step 0\.015 au\. The abscissa is the peak intensity, 1\.6881e13 to 8\.4407e14 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\. Rows excluded\: 0 \(excluded\_rows gives the reasons\)\.

travers\_2026\_trecx/norm\_gauss\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "norm_gauss_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__norm_gauss_Ar_m1.csv",
     "table": "data/external/trecx/ar_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "At the noise floor of 1 - <~1>: the loss before the pulse (t = -450 au) is already 1.2e-10, the yield 7.9e-10 (chi) and 7.5e-10 (norm), and the iSurff yield of the cos8 run at this intensity is 1.1e-10, 0.15 of that run's chi-loss where the other rows have 0.64-0.96."
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "norm-loss: 1 - <norm>, the population absorbed by the exterior complex scaling by the end of the run",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 \(one of the two orbitals across the field\) in Tong and Lin's potential, one active electron\: the norm\-loss 1 \- \<norm\> at the end of the run \(t = \+3 FWHM = 744\.14 au\)\: the population absorbed by the complex scaling beyond BOX; a lower bound of what has left, as electrons between the atom and BOX are not counted\. Runs ar\_m1\_NN, NN the row; 800 nm, a Gaussian envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr, angle 0\.3, step 0\.015 au\. The abscissa is the peak intensity, 1\.6881e13 to 8\.4407e14 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\. Rows excluded\: 0 \(excluded\_rows gives the reasons\)\.

travers\_2026\_trecx/isurff\_cos8\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "isurff_cos8_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__isurff_cos8_Ar_m1.csv",
     "table": "data/external/trecx/ar_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "cos8",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "iSurff: the integral of the photoelectron spectrum, int sigma(k) k^2 dk",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 \(one of the two orbitals across the field\) in Tong and Lin's potential, one active electron\: the integral of the iSurff photoelectron spectrum, int sigma\(k\) k^2 dk \(trapezoid rule over tRecX's spec\_total\)\: the population of the continuum alone, without bound excited states\. Seven intensities only \(rows 0\-6\)\. Runs ar\_m1isurff\_NN, NN the row; 800 nm, a cos^8 envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr, angle 0\.3, step 0\.015 au\. The abscissa is the peak intensity, 1\.6881e13 to 8\.4407e14 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\. Row 0 \(1\.0554e\-10\) is the smallest yield of the record and has nothing to check it against \(the chi\-loss there is noise\)\. Biased low \(TC\-703\)\: the run keeps the potential's Coulomb tail at the tSurff surface, which tSurff assumes free of potential; in the 42 fs argon runs the same set\-up made iSurff 1\.4 to 23 % lower than the ionised fraction, and 0\.04 to 0\.15 % lower with the tail switched off before the surface\.

travers\_2026\_trecx/chi\_gauss\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "chi_gauss_He",
     "material": "He",
     "file": "He/travers_2026_trecx__chi_gauss_He.csv",
     "table": "data/external/trecx/he_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "At the noise floor of 1 - <~1>: the loss before the pulse (t = -450 au) is already 4.2e-08, the yield 3.1e-07 for chi and norm alike, and the iSurff yield of the cos8 run at this intensity is 1.2e-09, 0.004 of that run's chi-loss where rows 2-6 have 0.77-0.88.",
       "1": "At the noise floor of 1 - <~1>: the loss before the pulse (t = -450 au) is already 3.4e-08, the yield 4.8e-07 (chi) and 4.6e-07 (norm), and the iSurff yield of the cos8 run at this intensity is 8.7e-08, 0.19 of that run's chi-loss where rows 2-6 have 0.77-0.88.",
       "8": "Unstable run (he_scan_08, 3.2374e15 W/cm^2): 1973 warnings 'norm>1, possible instability - try smaller scaling angle or smaller operator threshold'; the norm reached 3.16 during the pulse.",
       "9": "Unstable run (he_scan_09, 5.0000e15 W/cm^2): 2902 warnings 'norm>1, possible instability - try smaller scaling angle or smaller operator threshold'; the norm reached 3.41 during the pulse."
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "chi-loss: 1 - <chi[0,20]>, the population beyond 20 bohr at the end of the run",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "model_ionization_energy_au": 0.903801,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

He 1s in Tong and Lin's potential, one active electron\: the chi\-loss 1 \- \<chi\[0,20\]\> at the end of the run \(t = \+3 FWHM = 744\.14 au\)\: the population beyond 20 bohr, which includes bound excited \(Rydberg\) population out there and misses slow electrons still inside\. Runs he\_scan\_NN, NN the row; 800 nm, a Gaussian envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr \(rows 0\-5\), 100 \(6\), 120 \(7\), 150 \(8\), 180 \(9\), angle 0\.15, step 0\.0283 to 0\.0129 au\. The abscissa is the peak intensity, 1\.0000e14 to 5\.0000e15 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\. Rows excluded\: 0, 1, 8, 9 \(excluded\_rows gives the reasons\)\.

travers\_2026\_trecx/norm\_gauss\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "norm_gauss_He",
     "material": "He",
     "file": "He/travers_2026_trecx__norm_gauss_He.csv",
     "table": "data/external/trecx/he_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "At the noise floor of 1 - <~1>: the loss before the pulse (t = -450 au) is already 4.2e-08, the yield 3.1e-07 for chi and norm alike, and the iSurff yield of the cos8 run at this intensity is 1.2e-09, 0.004 of that run's chi-loss where rows 2-6 have 0.77-0.88.",
       "1": "At the noise floor of 1 - <~1>: the loss before the pulse (t = -450 au) is already 3.4e-08, the yield 4.8e-07 (chi) and 4.6e-07 (norm), and the iSurff yield of the cos8 run at this intensity is 8.7e-08, 0.19 of that run's chi-loss where rows 2-6 have 0.77-0.88.",
       "8": "Unstable run (he_scan_08, 3.2374e15 W/cm^2): 1973 warnings 'norm>1, possible instability - try smaller scaling angle or smaller operator threshold'; the norm reached 3.16 during the pulse.",
       "9": "Unstable run (he_scan_09, 5.0000e15 W/cm^2): 2902 warnings 'norm>1, possible instability - try smaller scaling angle or smaller operator threshold'; the norm reached 3.41 during the pulse."
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "norm-loss: 1 - <norm>, the population absorbed by the exterior complex scaling by the end of the run",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "model_ionization_energy_au": 0.903801,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

He 1s in Tong and Lin's potential, one active electron\: the norm\-loss 1 \- \<norm\> at the end of the run \(t = \+3 FWHM = 744\.14 au\)\: the population absorbed by the complex scaling beyond BOX; a lower bound of what has left, as electrons between the atom and BOX are not counted\. Runs he\_scan\_NN, NN the row; 800 nm, a Gaussian envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr \(rows 0\-5\), 100 \(6\), 120 \(7\), 150 \(8\), 180 \(9\), angle 0\.15, step 0\.0283 to 0\.0129 au\. The abscissa is the peak intensity, 1\.0000e14 to 5\.0000e15 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\. Rows excluded\: 0, 1, 8, 9 \(excluded\_rows gives the reasons\)\.

travers\_2026\_trecx/isurff\_cos8\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "isurff_cos8_He",
     "material": "He",
     "file": "He/travers_2026_trecx__isurff_cos8_He.csv",
     "table": "data/external/trecx/he_results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "cos8",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "iSurff: the integral of the photoelectron spectrum, int sigma(k) k^2 dk",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "model_ionization_energy_au": 0.903801,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

He 1s in Tong and Lin's potential, one active electron\: the integral of the iSurff photoelectron spectrum, int sigma\(k\) k^2 dk \(trapezoid rule over tRecX's spec\_total\)\: the population of the continuum alone, without bound excited states\. Seven intensities only \(rows 0\-6\)\. Runs he\_isurff\_NN, NN the row; 800 nm, a cos^8 envelope on the vector potential of 6\.0 fs full width at half maximum of the intensity envelope, linear polarisation, carrier\-envelope phase 0 \(the field's largest maximum at the peak of the envelope\); BOX = 80 bohr \(rows 0\-5\), 100 \(6\), 120 \(7\), 150 \(8\), 180 \(9\), angle 0\.15, step 0\.0283 to 0\.0129 au\. The abscissa is the peak intensity, 1\.0000e14 to 5\.0000e15 W/cm^2 over the ten rows, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. From data/external/trecx \(PROVENANCE\.md there\), the numbers as the result table has them\. No uncertainty is stated\: no convergence runs are retained \(the record's notes\)\. Rows 0 and 1 \(1\.1799e\-09, 8\.7248e\-08\) have nothing to check them against \(the chi\-loss there is noise\)\. Row 6 used BOX = 100; its spectrum is cut where the integrand is 0\.5 % of its maximum\. Biased low \(TC\-703\)\: the run keeps the potential's Coulomb tail at the tSurff surface, which tSurff assumes free of potential; in the 42 fs argon runs the same set\-up made iSurff 1\.4 to 23 % lower than the ionised fraction, and 0\.04 to 0\.15 % lower with the tail switched off before the surface\.

travers\_2026\_trecx/ionised\_gauss42\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss42_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss42_Ar_m0.csv",
     "table": "data/external/trecx/ar_42fs/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative": 0.026,
       "relative_rows": {
         "7p80e13": 0.013,
         "8p20e13": 0.013,
         "8p70e13": 0.013,
         "9p20e13": 0.013,
         "9p70e13": 0.013,
         "1p05e14": 0.013,
         "1p12e14": 0.013,
         "1p20e14": 0.013,
         "1p35e14": 0.001
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 42,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 \(the orbital along the field\) in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse, from the bi\-orthogonal populations of the field\-free states \(column ion\_proj\_le10\_pe\)\. Runs base\_\<intensity\>; 800 nm, a Gaussian envelope on the vector potential of 42 fs full width at half maximum of the intensity envelope \(41\.99977 fs as run\), sampled over \+\-3 FWHM, linear polarisation, carrier\-envelope phase 0; BOX = 80 bohr, angle 0\.3, step 0\.015 au, cutEnergy 60\. The abscissa is the peak intensity, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. The uncertainty is the largest change among the convergence runs at the nearest of 4\.0e13, 7\.8e13 and 1\.35e14 W/cm^2\: 2\.6 %, 1\.3 % from 7\.8e13 to 1\.2e14, 0\.1 % at 1\.35e14; the cutEnergy part of it is one\-sided \(the yields are low\)\. The excited bound population is not in this number \(PROVENANCE\.md\)\.

travers\_2026\_trecx/ionised\_gauss6\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss6_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss6_Ar_m0.csv",
     "table": "data/external/trecx/scan_6fs_v2/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 9.2e-9, is within a factor 10 of what the run without a field loses (1.0e-9), and the time-step and cutEnergy variations change it by 6 % and 3 %; an upper bound only"
     },
     "uncertainty": {
       "relative_rows": {
         "1": 0.0168,
         "2": 0.0168,
         "3": 0.0168,
         "4": 0.00623,
         "5": 0.00623,
         "6": 0.00623,
         "7": 0.00623,
         "8": 0.00623,
         "9": 0.00053
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 \(the orbital along the field\) in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse, from the bi\-orthogonal populations of the field\-free states \(column ion\_proj\_le10\_pe\)\. The 6 fs runs of chi\_gauss\_Ar\_m0 repeated \(runs ar\_m0\_NN, NN the row, the same ten intensities\)\: the same Gaussian, read from a file, then 1000 au without field; BOX = 80 bohr, angle 0\.3, step 0\.015 au \(0\.01499 and 0\.01406 in rows 8 and 9\), cutEnergy 100\. The abscissa is the peak intensity, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. It is 0\.70 to 0\.98 of chi\_gauss\_Ar\_m0 \(the population of Rydberg states beyond 20 bohr, which the chi\-loss counts\); excited bound states hold 2 to 58 % of it\. The uncertainty is the largest change among the convergence runs at the nearest convergence rows \(1, 4 and 9\)\: 1\.7 % to row 3 \(BOX and ECS angle, through n = 9 and 10\), 0\.6 % to row 8, 0\.05 % at row 9\.

travers\_2026\_trecx/ionised\_gauss6\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss6_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss6_Ar_m1.csv",
     "table": "data/external/trecx/scan_6fs_v2/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 7.5e-10, is below what the run without a field loses (1.0e-9); an upper bound only",
       "1": "below the floor: the yield, 3.8e-9, is within a factor 10 of what the run without a field loses (1.0e-9); an upper bound only"
     },
     "uncertainty": {
       "relative_rows": {
         "2": 0.0106,
         "3": 0.00686,
         "4": 0.00381,
         "5": 0.0165,
         "6": 0.0165,
         "7": 0.0165,
         "8": 0.0165,
         "9": 0.0165
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 \(an orbital perpendicular to the field\) in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse, from the bi\-orthogonal populations of the field\-free states \(column ion\_proj\_le10\_pe\)\. The 6 fs runs of chi\_gauss\_Ar\_m1 repeated \(runs ar\_m1\_NN, NN the row, the same ten intensities\)\: the same Gaussian, read from a file, then 1000 au without field; BOX = 80 bohr, angle 0\.3, step 0\.015 au \(0\.01499 and 0\.01406 in rows 8 and 9\), cutEnergy 100\. The abscissa is the peak intensity, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron in this orbital, not of the atom\. It is 0\.79 to 0\.99 of chi\_gauss\_Ar\_m1; excited bound states hold 0\.3 to 37 % of it\. The uncertainty is the largest change among the convergence runs at the nearest convergence rows \(2, 4 and 9\)\: 1\.1 % at row 2, 0\.7 % and 0\.4 % at rows 3 and 4, 1\.65 % above \(the angular functions, at row 9\)\.

travers\_2026\_trecx/ionised\_gauss6\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss6_He",
     "material": "He",
     "file": "He/travers_2026_trecx__ionised_gauss6_He.csv",
     "table": "data/external/trecx/scan_6fs_v2/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 3.0e-8, is below what the run without a field loses (3.2e-8); an upper bound only",
       "1": "below the floor: the yield, 1.3e-7, is within a factor 10 of what the run without a field loses (3.2e-8); an upper bound only"
     },
     "uncertainty": {
       "relative_rows": {
         "2": 0.00783,
         "3": 0.00412,
         "4": 0.00412,
         "5": 0.0181,
         "6": 0.0181,
         "7": 0.0181
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "model_ionization_energy_au": 0.903801,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

He 1s in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10; n = 9 at row 7, BOX 120, where the n = 10 states hold at most 0\.05 % of the yield\) at the end of the pulse, from the bi\-orthogonal populations of the field\-free states \(column ion\_proj\_le10\_pe\)\. The 6 fs runs of chi\_gauss\_He repeated at rows 0 to 7 \(runs he\_NN, NN the row; rows 8 and 9 of the first runs were unstable and were not repeated\)\: the same Gaussian, read from a file, then 1000 au without field; BOX = 80 bohr \(100 and 120 at rows 6 and 7\), angle 0\.15, cutEnergy 100 with the step 2/Emax \(0\.0129 to 0\.0176 au; 0\.00785 at row 7\)\. cutEnergy 100 rather than the first runs' 60\: at 60 the step was not converged \(a step 2/3 as long changed the yield at 5\.7e14 W/cm^2 by 67 %\)\. Row 7's norm rises transiently to 1\.085 at the peak of the field, an error of the radial discretisation that changes the yield by at most 0\.05 %\. The abscissa is the peak intensity, that of a continuous wave with the peak field's amplitude\. The yield of ONE electron, not of the atom\. It is 0\.83 to 0\.99 of chi\_gauss\_He at rows 2 to 7; the first runs' values at rows 0 to 2 are mostly numerical loss\. The uncertainty is the largest change among the convergence runs at the nearest convergence rows \(4 and 7\), and at least the loss without a field over the yield\: 0\.8 % at row 2, 0\.4 % at rows 3 and 4, 1\.8 % above \(the angular functions, at row 7\)\.

travers\_2026\_trecx/static\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "static_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__static_Ar_m0.csv",
     "table": "data/external/trecx/static_rates/results.csv",
     "quantity": "ionization_rate",
     "unit": "au",
     "abscissa": "field",
     "abscissa_unit": "au",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0.05329": 0.00016,
         "0.09399": 0.00105,
         "0.12177": 0.0033,
         "0.1443": 0.00937,
         "0.16376": 0.0136,
         "0.18114": 0.0135,
         "0.19699": 0.077
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": Infinity,
       "polarization": "static",
       "potential": "Tong-Lin",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "model_ionization_energy_au": 0.579689,
       "method": "complex scaling (ECS) of H0 + F z, tRecX, the resonance traced from F = 0"
     }
   }

Ar 3p, m = 0 in Tong and Lin's potential, one active electron, in a static field\: the rate Gamma = \-2 Im E of the complex\-scaled resonance of H0 \+ F z that continues the 3p state, traced from F = 0 \(the field\-free energy \-0\.5796893 au\) in steps of at most 0\.004 au, at the seven fields of zhang\_2014's Table IX up to 0\.2 au \(column Gamma, atomic units\)\. tRecX, length gauge, 30 Legendre functions, finite elements to an ECS radius of 40 bohr, ECS angle 0\.4 \(Zhang et al\.'s\)\. The uncertainty is the largest change among direct solves with the discretisation varied \(angular functions 40, radial elements, radial order 14, ECS angle 0\.3 and 0\.6, ECS radius 30 and 20 bohr\)\: 0\.02 to 1\.4 % below 0\.19 au, 7\.7 % at 0\.197 au \(the ECS angle\)\. Moving the ECS radius outwards to 60 bohr loses the broad resonance among discretised continuum states above 0\.1 au and is not counted\. It reproduces zhang\_2014/tableIX\_tonglin\_Ar \(two times the printed Gamma/2\) to 0\.04 to 2\.4 % at the six fields kept there; at the excluded field, 0\.12177 au, it gives Gamma/2 = 1\.3232e\-2, the printed Muller cell \(TC\-813\)\. The rate of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/static\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "static_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__static_Ar_m1.csv",
     "table": "data/external/trecx/static_rates/results.csv",
     "quantity": "ionization_rate",
     "unit": "au",
     "abscissa": "field",
     "abscissa_unit": "au",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0.05329": 6e-05,
         "0.09399": 0.00014,
         "0.12177": 0.00123,
         "0.1443": 0.00166,
         "0.16376": 0.00407,
         "0.18114": 0.00486,
         "0.19699": 0.00856
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": Infinity,
       "polarization": "static",
       "potential": "Tong-Lin",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "model_ionization_energy_au": 0.579689,
       "method": "complex scaling (ECS) of H0 + F z, tRecX, the resonance traced from F = 0"
     }
   }

Ar 3p, m = 1 \(an orbital perpendicular to the field\) in Tong and Lin's potential, one active electron, in a static field\: the rate Gamma = \-2 Im E of the complex\-scaled resonance of H0 \+ F z that continues the 3p, m = 1 state, traced from F = 0, at the seven fields of static\_Ar\_m0 \(column Gamma, atomic units\); the same discretisation\. Not published elsewhere\: 2\.1 % of the m = 0 rate at 0\.053 au, rising to 22 % at 0\.197 au\. The uncertainty is the largest change among direct solves with the discretisation varied \(as static\_Ar\_m0\)\: 0\.006 to 0\.9 %\. The rate of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss10\_400nm\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss10_400nm_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss10_400nm_Ar_m0.csv",
     "table": "data/external/trecx/scan_wavelength/results_400.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00324,
         "1": 0.00324,
         "2": 0.00324,
         "3": 0.00324,
         "4": 0.00173,
         "5": 0.00173,
         "6": 0.00173,
         "7": 0.00173,
         "8": 0.00173,
         "9": 0.00046
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 400,
       "pulse_fs": 10,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), as ionised\_gauss6\_Ar\_m0 but at 400 nm\: runs ar\_m0\_NN, NN the row, ten peak intensities log\-spaced from 3e13 to 1\.5e15 W/cm^2 \(Keldysh parameter 4\.19 to 0\.59\); a Gaussian envelope on the vector potential of 10 fs full width at half maximum of the intensity \(7\.5 cycles\), from a file, then 1000 au without field; BOX = 80 bohr, angle 0\.3, step 0\.015 au, cutEnergy 100\. Every row is at least 250 times the loss of the run without a field\. Excited bound states hold 98 % of the ionised population at 3e13 W/cm^2, 71 % at 4\.6e13 and 38 % at 2\.6e14 \(a resonance with n = 4\), 3 to 18 % elsewhere; above about 4e14 the ground state is depleted\. The uncertainty is the largest change among the convergence runs at rows 0, 4 and 9 \(angular functions 40 and 50, radial elements and order, BOX 120, step x 2/3 and x 1/2, ECS angle x 2/3, operator threshold, cutEnergy 150 and 200\)\: 0\.32 % to row 3 \(the ECS angle, through n = 9 and 10\), 0\.17 % to row 8, 0\.046 % at row 9; cutEnergy 100 is low by about 0\.2 %, inside it\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss10\_400nm\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss10_400nm_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss10_400nm_Ar_m1.csv",
     "table": "data/external/trecx/scan_wavelength/results_400.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00324,
         "1": 0.00324,
         "2": 0.00324,
         "3": 0.00324,
         "4": 0.00173,
         "5": 0.00173,
         "6": 0.00173,
         "7": 0.00173,
         "8": 0.00173,
         "9": 0.00046
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 400,
       "pulse_fs": 10,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 in Tong and Lin's potential, one active electron\: the ionised fraction at the end of the pulse, the runs ar\_m1\_NN with the pulse and discretisation of ionised\_gauss10\_400nm\_Ar\_m0\. 2\.1 % of m = 0's at 3e13 W/cm^2, rising to 99 % at 1\.5e15 where both saturate\. No convergence runs of its own\: the uncertainty is m = 0's at the same row \(the runs' report\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss10\_1030nm\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss10_1030nm_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss10_1030nm_Ar_m0.csv",
     "table": "data/external/trecx/scan_wavelength/results_1030.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 1.08e-9, is below what the run without a field loses (1.4e-9); an upper bound only",
       "1": "below the floor: the yield, 1.47e-9, is within a factor 10 of what the run without a field loses (1.4e-9); an upper bound only; the time-step and cutEnergy variations change it by 67 % and 44 %"
     },
     "uncertainty": {
       "relative_rows": {
         "2": 0.0421,
         "3": 0.0326,
         "4": 0.0326,
         "5": 0.00938,
         "6": 0.00938,
         "7": 0.00938,
         "8": 0.00938,
         "9": 0.00222
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1030,
       "pulse_fs": 10,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), as ionised\_gauss10\_400nm\_Ar\_m0 but at 1030 nm\: runs ar\_m0\_NN, NN the row, ten peak intensities log\-spaced from 1e13 to 5e14 W/cm^2 \(Keldysh parameter 2\.82 to 0\.40\); a Gaussian envelope on the vector potential of 10 fs full width at half maximum of the intensity \(2\.9 cycles\), from a file, then 1000 au without field; BOX = 80 bohr \(rows 0 to 7\) and 120 \(rows 8 and 9, where the quiver radius is 49 and 61 bohr\), angle 0\.3, step 0\.015 au \(0\.0141 at row 9\), cutEnergy 100\. Excited bound states hold 2 to 26 % of the ionised population above the floor\. The uncertainty is the largest change among the convergence runs at rows 2, 5 and 9 \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3 and x 1/2, operator threshold, cutEnergy 150\), and at least the loss without a field over the yield\: 4\.2 % at row 2 \(2\.4 times the floor; partly the drift\), 3\.3 % at rows 3 and 4 \(from row 2, so probably conservative\), 0\.94 % to row 8 \(the ECS angle x 1/2, mostly n = 9 and 10 states left unlabelled\), 0\.22 % at row 9\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss10\_1030nm\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss10_1030nm_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss10_1030nm_Ar_m1.csv",
     "table": "data/external/trecx/scan_wavelength/results_1030.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 1.07e-9, is below what the run without a field loses (1.4e-9); an upper bound only",
       "1": "below the floor: the yield, 1.13e-9, is below what the run without a field loses (1.4e-9); an upper bound only",
       "2": "below the floor: the yield, 1.58e-9, is within a factor 10 of what the run without a field loses (1.4e-9); an upper bound only"
     },
     "uncertainty": {
       "relative_rows": {
         "3": 0.0711,
         "4": 0.0326,
         "5": 0.00938,
         "6": 0.00938,
         "7": 0.00938,
         "8": 0.00938,
         "9": 0.00222
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1030,
       "pulse_fs": 10,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 in Tong and Lin's potential, one active electron\: the ionised fraction at the end of the pulse, the runs ar\_m1\_NN with the pulse and discretisation of ionised\_gauss10\_1030nm\_Ar\_m0\. 1\.6 % of m = 0's at 3\.7e13 W/cm^2, rising to 16 % at 5e14\. No convergence runs of its own\: the uncertainty is m = 0's at the same row, and at least the loss without a field over the yield \(7\.1 % at row 3, 14 times the floor\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss10\_800nm\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss10_800nm_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss10_800nm_Ar_m0.csv",
     "table": "data/external/trecx/scan_wavelength/results_800.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 8.5e-9, is within a factor 10 of what the run without a field loses (1.4e-9); an upper bound only; the time-step and cutEnergy variations change it by 11 %"
     },
     "uncertainty": {
       "relative_rows": {
         "1": 0.0228,
         "2": 0.0228,
         "3": 0.0228,
         "4": 0.0228,
         "5": 0.00788,
         "6": 0.00788,
         "7": 0.00788,
         "8": 0.00788,
         "9": 0.00096
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 10,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), as ionised\_gauss10\_400nm\_Ar\_m0 but at 800 nm, so that 400, 800 and 1030 nm share one pulse \(ionised\_gauss6\_Ar\_m0 is the 6 fs pulse at 800 nm\)\: runs ar\_m0\_NN, NN the row, ten peak intensities log\-spaced from 1\.5e13 to 8e14 W/cm^2 \(Keldysh parameter 2\.97 to 0\.41\); a Gaussian envelope on the vector potential of 10 fs full width at half maximum of the intensity \(3\.75 cycles\), from a file, then 1000 au without field; BOX = 80 bohr \(rows 0 to 8\) and 120 \(row 9, quiver radius 46\.5 bohr\), angle 0\.3, step 0\.015 au \(0\.0142 at row 9\), cutEnergy 100\. Excited bound states hold 2 to 61 % of the ionised population above the floor\. The uncertainty is the largest change among the convergence runs at rows 0, 1, 5 and 9 \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3 and x 1/2, ECS angle x 2/3 and x 1/2, operator threshold, cutEnergy 150 and 200\), counting rows above the floor, and at least the loss without a field over the yield\: 2\.3 % to row 4 \(the ECS angle x 1/2, through n = 9 and 10 states left unlabelled; 1 \- bound\(n \<= 8\) changes by 0\.2 %\), 0\.79 % to row 8, 0\.096 % at row 9; cutEnergy 100 is low by 0\.5 to 0\.9 %, inside it\. The BOX 160 check at row 9 had a transient norm above 1 at three print steps near the peak of the field \(the runs' report\); its end\-of\-pulse yield agrees with BOX 120 to 0\.03 %\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss10\_800nm\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss10_800nm_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss10_800nm_Ar_m1.csv",
     "table": "data/external/trecx/scan_wavelength/results_800.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 1.1e-9, is below what the run without a field loses (1.4e-9); an upper bound only",
       "1": "below the floor: the yield, 3.0e-9, is within a factor 10 of what the run without a field loses (1.4e-9); an upper bound only"
     },
     "uncertainty": {
       "relative_rows": {
         "2": 0.0228,
         "3": 0.0228,
         "4": 0.0228,
         "5": 0.00788,
         "6": 0.00788,
         "7": 0.00788,
         "8": 0.00788,
         "9": 0.00096
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 10,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 in Tong and Lin's potential, one active electron\: the ionised fraction at the end of the pulse, the runs ar\_m1\_NN with the pulse and discretisation of ionised\_gauss10\_800nm\_Ar\_m0\. 1\.7 % of m = 0's at 3\.6e13 W/cm^2, rising to 52 % at 8e14\. No convergence runs of its own\: the uncertainty is m = 0's at the same row, and at least the loss without a field over the yield\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_wallace\_cep0\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_wallace_cep0_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_wallace_cep0_Ar_m0.csv",
     "table": "data/external/trecx/scan_wallace/results_cep0.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0152,
         "1": 0.0152,
         "2": 0.0152,
         "3": 0.0152,
         "4": 0.0152,
         "5": 0.0152,
         "6": 0.0066,
         "7": 0.0066,
         "8": 0.0066,
         "9": 0.0066,
         "10": 0.0066,
         "11": 0.00334
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 5.5,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential); Wallace et al.'s 5.5 fs",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in Wallace et al\.'s \(2016\) pulse\: a Gaussian envelope on the vector potential of 5\.5 fs full width at half maximum of the intensity \(2\.06 cycles\) at 800 nm, carrier\-envelope phase 0, from a file, then 1000 au without field; runs ar\_m0\_NN, NN the row, twelve peak intensities log\-spaced from 5e13 to 6e14 W/cm^2 \(Keldysh parameter 1\.62 to 0\.47\), into saturation; BOX = 80 bohr \(rows 0 to 8\) and 120 \(rows 9 to 11, quiver radius 32 to 40 bohr\), angle 0\.3, step 0\.015 au \(0\.0148 at row 11\), cutEnergy 100\. Every row is far above the loss without a field \(9\.5e\-10\)\. The uncertainty is the largest change among the convergence runs at rows 0, 6 and 11 \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3 and x 1/2, ECS angle x 2/3 and x 1/2, operator threshold, cutEnergy 150 and 200\)\: 1\.5 % to row 5 \(the ECS angle x 1/2, through n = 9 and 10; 1 \- bound\(n \<= 8\) changes by 0\.1 %\), 0\.66 % to row 10, 0\.33 % at row 11\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_wallace\_cep0\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_wallace_cep0_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_wallace_cep0_Ar_m1.csv",
     "table": "data/external/trecx/scan_wallace/results_cep0.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0152,
         "1": 0.0152,
         "2": 0.0152,
         "3": 0.0152,
         "4": 0.0152,
         "5": 0.0152,
         "6": 0.0066,
         "7": 0.0066,
         "8": 0.0066,
         "9": 0.0066,
         "10": 0.0066,
         "11": 0.00334
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 5.5,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential); Wallace et al.'s 5.5 fs",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in Wallace et al\.'s \(2016\) pulse\: a Gaussian envelope on the vector potential of 5\.5 fs full width at half maximum of the intensity \(2\.06 cycles\) at 800 nm, carrier\-envelope phase 0, from a file, then 1000 au without field; runs ar\_m1\_NN, NN the row, twelve peak intensities log\-spaced from 5e13 to 6e14 W/cm^2 \(Keldysh parameter 1\.62 to 0\.47\), into saturation; BOX = 80 bohr \(rows 0 to 8\) and 120 \(rows 9 to 11, quiver radius 32 to 40 bohr\), angle 0\.3, step 0\.015 au \(0\.0148 at row 11\), cutEnergy 100\. Every row is far above the loss without a field \(9\.5e\-10\)\. No convergence runs of its own\: the uncertainty is m = 0's at the same row\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_wallace\_cep90\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_wallace_cep90_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_wallace_cep90_Ar_m0.csv",
     "table": "data/external/trecx/scan_wallace/results_cep90.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0152,
         "1": 0.0152,
         "2": 0.0152,
         "3": 0.0152,
         "4": 0.0152,
         "5": 0.0152,
         "6": 0.0066,
         "7": 0.0066,
         "8": 0.0066,
         "9": 0.0066,
         "10": 0.0066,
         "11": 0.00334
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 5.5,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential); Wallace et al.'s 5.5 fs",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 1.5707963267948966,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t + pi/2): a sine-like field, whose largest value is 0.981 E0 (the two central half-cycles straddle the envelope's peak)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in Wallace et al\.'s \(2016\) pulse\: a Gaussian envelope on the vector potential of 5\.5 fs full width at half maximum of the intensity \(2\.06 cycles\) at 800 nm, carrier\-envelope phase pi/2, from a file, then 1000 au without field; runs ar\_m0\_NN, NN the row, twelve peak intensities log\-spaced from 5e13 to 6e14 W/cm^2 \(Keldysh parameter 1\.62 to 0\.47\), into saturation; BOX = 80 bohr \(rows 0 to 8\) and 120 \(rows 9 to 11, quiver radius 32 to 40 bohr\), angle 0\.3, step 0\.015 au \(0\.0148 at row 11\), cutEnergy 100\. Every row is far above the loss without a field \(9\.5e\-10\)\. Run on the discretisation of phase 0, without convergence runs of its own\: the uncertainty is phase 0's \(m = 0\) at the same row\. Against phase 0 the m = 0 yield changes by \-6\.1 to \+6\.0 %, oscillating with the intensity \(m = 1\: \-1\.7 to \+3\.2 %\), more than the uncertainty at most rows\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_wallace\_cep90\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_wallace_cep90_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_wallace_cep90_Ar_m1.csv",
     "table": "data/external/trecx/scan_wallace/results_cep90.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0152,
         "1": 0.0152,
         "2": 0.0152,
         "3": 0.0152,
         "4": 0.0152,
         "5": 0.0152,
         "6": 0.0066,
         "7": 0.0066,
         "8": 0.0066,
         "9": 0.0066,
         "10": 0.0066,
         "11": 0.00334
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 5.5,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential); Wallace et al.'s 5.5 fs",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 1.5707963267948966,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t + pi/2): a sine-like field, whose largest value is 0.981 E0 (the two central half-cycles straddle the envelope's peak)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in Wallace et al\.'s \(2016\) pulse\: a Gaussian envelope on the vector potential of 5\.5 fs full width at half maximum of the intensity \(2\.06 cycles\) at 800 nm, carrier\-envelope phase pi/2, from a file, then 1000 au without field; runs ar\_m1\_NN, NN the row, twelve peak intensities log\-spaced from 5e13 to 6e14 W/cm^2 \(Keldysh parameter 1\.62 to 0\.47\), into saturation; BOX = 80 bohr \(rows 0 to 8\) and 120 \(rows 9 to 11, quiver radius 32 to 40 bohr\), angle 0\.3, step 0\.015 au \(0\.0148 at row 11\), cutEnergy 100\. Every row is far above the loss without a field \(9\.5e\-10\)\. Run on the discretisation of phase 0, without convergence runs of its own\: the uncertainty is phase 0's \(m = 0\) at the same row\. Against phase 0 the m = 0 yield changes by \-6\.1 to \+6\.0 %, oscillating with the intensity \(m = 1\: \-1\.7 to \+3\.2 %\), more than the uncertainty at most rows\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss15\_400nm\_H
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss15_400nm_H",
     "material": "H",
     "file": "H/travers_2026_trecx__ionised_gauss15_400nm_H.csv",
     "table": "data/external/trecx/scan_hydrogen/results_400.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 1.9e-05,
         "1": 0.000498,
         "2": 0.000498,
         "3": 0.000498,
         "4": 0.000498,
         "5": 0.000498,
         "6": 0.000498,
         "7": 0.000498,
         "8": 0.000498,
         "9": 0.000217
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 400,
       "pulse_fs": 15,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one electron",
       "potential": "the bare Coulomb potential, V = -1/r",
       "model_ionization_energy_au": 0.5,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

H 1s in the bare Coulomb potential\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe; hydrogen's levels are degenerate in l, so the states are labelled by n alone, which is all the measure needs\)\: runs h\_m0\_NN, NN the row, ten peak intensities log\-spaced from 5e13 to 3e14 W/cm^2 \(Keldysh parameter 3\.02 to 1\.23\); a Gaussian envelope on the vector potential of 15 fs full width at half maximum of the intensity at 400 nm, from a file, carrier\-envelope phase 0, then 1000 au without field; BOX = 80 bohr, angle 0\.15, step 0\.0191 to 0\.0179 au \(set by cutEnergy 100\), angular functions 30\. Excited bound states hold 0\.03 to 0\.25 times the ionised population, 0\.35 at 1\.35e14 and 0\.78 at 1\.65e14 W/cm^2 \(resonances\)\. The uncertainty is the largest change among the convergence runs at rows 0, 4 and 9 \(angular functions 40 and 50, radial elements and order, BOX 120, step x 2/3 and x 1/2, ECS angle 0\.10, operator threshold, cutEnergy 150 and 200\), and at least the loss without a field over the yield\: at most 0\.06 %\. The same pulse and measure as Zhao et al\.'s \(2016\) one\-electron calculations of hydrogen \(zhao\_2016, read from their figures\)\.

travers\_2026\_trecx/ionised\_gauss15\_800nm\_H
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss15_800nm_H",
     "material": "H",
     "file": "H/travers_2026_trecx__ionised_gauss15_800nm_H.csv",
     "table": "data/external/trecx/scan_hydrogen/results_800.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00018,
         "1": 0.000578,
         "2": 0.000578,
         "3": 0.000578,
         "4": 0.000578,
         "5": 0.000578,
         "6": 0.000578,
         "7": 0.000578,
         "8": 0.000578,
         "9": 0.000111
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 15,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one electron",
       "potential": "the bare Coulomb potential, V = -1/r",
       "model_ionization_energy_au": 0.5,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

H 1s in the bare Coulomb potential\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe; hydrogen's levels are degenerate in l, so the states are labelled by n alone, which is all the measure needs\)\: runs h\_m0\_NN, NN the row, ten peak intensities log\-spaced from 5e13 to 3e14 W/cm^2 \(Keldysh parameter 1\.51 to 0\.62\); a Gaussian envelope on the vector potential of 15 fs full width at half maximum of the intensity at 800 nm, from a file, carrier\-envelope phase 0, then 1000 au without field; BOX = 80 bohr, angle 0\.15, step 0\.0183 to 0\.0161 au \(set by cutEnergy 100\), angular functions 30\. Excited bound states hold 0\.04 to 0\.24 times the ionised population\. The uncertainty is the largest change among the convergence runs at rows 0, 4 and 9 \(angular functions 40 and 50, radial elements and order, BOX 120, step x 2/3 and x 1/2, ECS angle 0\.10, operator threshold, cutEnergy 150 and 200\), and at least the loss without a field over the yield\: at most 0\.06 %\. The same pulse and measure as Zhao et al\.'s \(2016\) one\-electron calculations of hydrogen \(zhao\_2016, read from their figures\)\.

travers\_2026\_trecx/ionised\_gauss30\_400nm\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss30_400nm_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss30_400nm_Ar_m0.csv",
     "table": "data/external/trecx/scan_wavelength/results_400_30fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00335,
         "1": 0.00335,
         "2": 0.00335,
         "3": 0.00335,
         "4": 0.00184,
         "5": 0.00184,
         "6": 0.00184,
         "7": 0.00184,
         "8": 0.00184,
         "9": 0.00152
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 400,
       "pulse_fs": 30,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), as ionised\_gauss10\_400nm\_Ar\_m0 \(the same intensities, set\-up and discretisation\) but with a 30 fs Gaussian envelope on the vector potential \(full width at half maximum of the intensity, 22\.5 cycles\), from a file, then 1000 au without field\: runs ar\_m0\_NN, NN the row, ten peak intensities from 3e13 to 1\.5e15 W/cm^2 \(Keldysh parameter 4\.19 to 0\.59\); BOX = 80 bohr, angle 0\.3, step 0\.015 au, cutEnergy 100\. The uncertainty is the largest change among the convergence runs at rows 0, 4 and 9 \(angular functions 40 and 50, radial elements and order, BOX 120, step x 2/3 and x 1/2, ECS angle x 2/3, operator threshold, cutEnergy 150 and 200\)\: 0\.34 % to row 3 \(cutEnergy, one\-sided\: 100 is low by about 0\.3 %\), 0\.18 % to row 8, 0\.15 % at row 9\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss30\_400nm\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss30_400nm_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss30_400nm_Ar_m1.csv",
     "table": "data/external/trecx/scan_wavelength/results_400_30fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00335,
         "1": 0.00335,
         "2": 0.00335,
         "3": 0.00335,
         "4": 0.00184,
         "5": 0.00184,
         "6": 0.00184,
         "7": 0.00184,
         "8": 0.00184,
         "9": 0.00152
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 400,
       "pulse_fs": 30,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 in Tong and Lin's potential, one active electron\: the ionised fraction at the end of the pulse, the runs ar\_m1\_NN with the pulse and discretisation of ionised\_gauss30\_400nm\_Ar\_m0\. No convergence runs of its own\: the uncertainty is m = 0's at the same row, and at least the loss without a field over the yield\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss30\_1030nm\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss30_1030nm_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss30_1030nm_Ar_m0.csv",
     "table": "data/external/trecx/scan_wavelength/results_1030_30fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 3.2e-9, is within a factor 10 of what the run without a field loses (3.4e-9); an upper bound only",
       "1": "below the floor: the yield, 4.1e-9, is within a factor 10 of what the run without a field loses (3.4e-9); an upper bound only"
     },
     "uncertainty": {
       "relative_rows": {
         "2": 0.041,
         "3": 0.0393,
         "4": 0.0393,
         "5": 0.00417,
         "6": 0.00417,
         "7": 0.00417,
         "8": 0.00417,
         "9": 0.0014
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1030,
       "pulse_fs": 30,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0 in Tong and Lin's potential, one active electron\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), as ionised\_gauss10\_1030nm\_Ar\_m0 \(the same intensities, set\-up and discretisation\) but with a 30 fs Gaussian envelope on the vector potential \(full width at half maximum of the intensity, 8\.7 cycles\), from a file, then 1000 au without field\: runs ar\_m0\_NN, NN the row, ten peak intensities from 1e13 to 5e14 W/cm^2 \(Keldysh parameter 2\.82 to 0\.40\); BOX = 80 bohr \(rows 0 to 7\) and 120 \(rows 8 and 9\), angle 0\.3, step 0\.015 au \(0\.0141 at row 9\), cutEnergy 100\. The uncertainty is the largest change among the convergence runs at rows 1, 2, 5 and 9, counting those above the floor \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3 and x 1/2, operator threshold, cutEnergy 150\), and at least the loss without a field over the yield\: 4\.1 % at row 2 \(2\.4 times the floor\), 3\.9 % at rows 3 and 4 \(from row 2\), 0\.42 % to row 8, 0\.14 % at row 9\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss30\_1030nm\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss30_1030nm_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_gauss30_1030nm_Ar_m1.csv",
     "table": "data/external/trecx/scan_wavelength/results_1030_30fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "excluded_rows": {
       "0": "below the floor: the yield, 3.2e-9, is within a factor 10 of what the run without a field loses (3.4e-9); an upper bound only",
       "1": "below the floor: the yield, 3.4e-9, is within a factor 10 of what the run without a field loses (3.4e-9); an upper bound only",
       "2": "below the floor: the yield, 4.7e-9, is within a factor 10 of what the run without a field loses (3.4e-9); an upper bound only"
     },
     "uncertainty": {
       "relative_rows": {
         "3": 0.0604,
         "4": 0.0393,
         "5": 0.00417,
         "6": 0.00417,
         "7": 0.00417,
         "8": 0.00417,
         "9": 0.0014
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1030,
       "pulse_fs": 30,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1 in Tong and Lin's potential, one active electron\: the ionised fraction at the end of the pulse, the runs ar\_m1\_NN with the pulse and discretisation of ionised\_gauss30\_1030nm\_Ar\_m0\. No convergence runs of its own\: the uncertainty is m = 0's at the same row, and at least the loss without a field over the yield\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_gauss6\_Xe\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss6_Xe_m0",
     "material": "Xe",
     "file": "Xe/travers_2026_trecx__ionised_gauss6_Xe_m0.csv",
     "table": "data/external/trecx/scan_kr_xe/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01295,
         "1": 0.01295,
         "2": 0.01295,
         "3": 0.01295,
         "4": 0.00311,
         "5": 0.00311,
         "6": 0.00311,
         "7": 0.00311,
         "8": 0.00311,
         "9": 0.00106
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "5p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table I (Tong and Lin's form): Z_c = 1, a_1 ... a_6 = 51.356, 2.112, -99.927, 3.737, 1.644, 0.431",
       "model_ionization_energy_au": 0.4448129,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Xe 5p, m = 0, one active electron in zhang\_2014 Table I \(Tong and Lin's form\)\: Z\_c = 1, a\_1 \.\.\. a\_6 = 51\.356, 2\.112, \-99\.927, 3\.737, 1\.644, 0\.431 \(the valence energy 0\.4448129 au, 12\.1040 eV, 0\.21 % below the measured 12\.12984; not adjusted\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's pulse \(ionised\_gauss6\_Ar\_m0\: a 6 fs Gaussian on the vector potential at 800 nm, from the same file, then 1000 au without field\) at A2's ten intensities \(Keldysh parameter 2\.45 to 0\.35 with the potential's own I\_p\)\: runs xe\_m0\_NN, NN the row; from 4\.38e\-5 to 0\.963\. BOX = 80 bohr, angle 0\.3, angular functions 30, cutEnergy 100, a radial grid refined over A2's inside 20 bohr, the step capped at 0\.00136 au by the deep 1s \(\-1261\.7 au\)\. The run without a field loses nothing to 12 digits, so every row is above the floor\. Saturated from row 7 \(3\.5e14 W/cm^2\), at 0\.94 to 0\.96, the ground state empty and 3\.7 to 4\.9 % of the population left in excited states\. The uncertainty is the largest change among the convergence runs at rows 0, 4 and 9 \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, A2's radial grid, cutEnergy 150\)\: cutEnergy 150 at row 0 sets it to row 3, then the box and the angle\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/static\_Xe\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "static_Xe_m0",
     "material": "Xe",
     "file": "Xe/travers_2026_trecx__static_Xe_m0.csv",
     "table": "data/external/trecx/scan_kr_xe/static_results.csv",
     "quantity": "ionization_rate",
     "unit": "au",
     "abscissa": "field",
     "abscissa_unit": "au",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0.03": 0.00299,
         "0.045": 0.0018,
         "0.06": 0.00109,
         "0.08": 0.00138,
         "0.1": 0.01236
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": Infinity,
       "polarization": "static",
       "potential": "zhang_2014 Table I (Tong and Lin's form): Z_c = 1, a_1 ... a_6 = 51.356, 2.112, -99.927, 3.737, 1.644, 0.431",
       "orbital": "5p",
       "m": 0,
       "electrons": "one active electron",
       "model_ionization_energy_au": 0.4448129,
       "method": "complex scaling (ECS) of H0 + F z, tRecX, the resonance traced from F = 0"
     }
   }

Xe 5p, m = 0, one active electron in zhang\_2014 Table I \(Tong and Lin's form\)\: Z\_c = 1, a\_1 \.\.\. a\_6 = 51\.356, 2\.112, \-99\.927, 3\.737, 1\.644, 0\.431, in a static field\: the rate Gamma = \-2 Im E of the complex\-scaled resonance of H0 \+ F z that continues the valence state, traced from F = 0 in steps of at most 0\.004 au \(static\_Ar\_m0's method\), at F = 0\.03, 0\.045, 0\.06, 0\.08 and 0\.10 au \(column Gamma, atomic units\)\. BOX 40, ECS angle 0\.4, angular functions 30, the refined radial grid\. The uncertainty is the largest change among the traces of the varied discretisations \(angular functions 40, radial elements and order, ECS radius 30 and 20 bohr, ECS angle 0\.3 and 0\.6, A2's radial grid\)\. Xe at 0\.10 au is over the barrier \(Re E rises again from 0\.08 au\); its 1\.2 % comes from the ECS angle 0\.3\.

travers\_2026\_trecx/ionised\_gauss6\_Kr\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_gauss6_Kr_m0",
     "material": "Kr",
     "file": "Kr/travers_2026_trecx__ionised_gauss6_Kr_m0.csv",
     "table": "data/external/trecx/scan_kr_xe/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01468,
         "1": 0.01468,
         "2": 0.01468,
         "3": 0.01468,
         "4": 0.00461,
         "5": 0.00461,
         "6": 0.00461,
         "7": 0.00461,
         "8": 0.00461,
         "9": 0.00106
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "4p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table II (Green, Sellin and Zachor's form): Z = 36, Z_c = 1, H = 5.507, d = 1.055",
       "model_ionization_energy_au": 0.5158494,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Kr 4p, m = 0, one active electron in zhang\_2014 Table II \(Green, Sellin and Zachor's form\)\: Z = 36, Z\_c = 1, H = 5\.507, d = 1\.055 \(the valence energy 0\.5158494 au, 14\.0370 eV, 0\.27 % above the measured 13\.99961; not adjusted\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's pulse \(ionised\_gauss6\_Ar\_m0\: a 6 fs Gaussian on the vector potential at 800 nm, from the same file, then 1000 au without field\) at A2's ten intensities \(Keldysh parameter 2\.64 to 0\.37 with the potential's own I\_p\)\: runs kr\_m0\_NN, NN the row; from 5\.53e\-7 to 0\.975\. BOX = 80 bohr, angle 0\.3, angular functions 30, cutEnergy 100, a radial grid refined over A2's inside 20 bohr, the step capped at 0\.00346 au by the deep 1s \(\-494\.5 au\)\. The run without a field loses nothing to 12 digits, so every row is above the floor\. Saturated from row 8 \(5\.5e14 W/cm^2\), at 0\.95 to 0\.97, the ground state empty and 2\.5 to 3\.9 % of the population left in excited states\. The uncertainty is the largest change among the convergence runs at rows 0, 4 and 9 \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, A2's radial grid, cutEnergy 150\)\: cutEnergy 150 at row 0 sets it to row 3, then the box and the angle\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/static\_Kr\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "static_Kr_m0",
     "material": "Kr",
     "file": "Kr/travers_2026_trecx__static_Kr_m0.csv",
     "table": "data/external/trecx/scan_kr_xe/static_results.csv",
     "quantity": "ionization_rate",
     "unit": "au",
     "abscissa": "field",
     "abscissa_unit": "au",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0.03": 0.00027,
         "0.045": 0.00017,
         "0.06": 0.00016,
         "0.08": 0.00093,
         "0.1": 0.00148
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": Infinity,
       "polarization": "static",
       "potential": "zhang_2014 Table II (Green, Sellin and Zachor's form): Z = 36, Z_c = 1, H = 5.507, d = 1.055",
       "orbital": "4p",
       "m": 0,
       "electrons": "one active electron",
       "model_ionization_energy_au": 0.5158494,
       "method": "complex scaling (ECS) of H0 + F z, tRecX, the resonance traced from F = 0"
     }
   }

Kr 4p, m = 0, one active electron in zhang\_2014 Table II \(Green, Sellin and Zachor's form\)\: Z = 36, Z\_c = 1, H = 5\.507, d = 1\.055, in a static field\: the rate Gamma = \-2 Im E of the complex\-scaled resonance of H0 \+ F z that continues the valence state, traced from F = 0 in steps of at most 0\.004 au \(static\_Ar\_m0's method\), at F = 0\.03, 0\.045, 0\.06, 0\.08 and 0\.10 au \(column Gamma, atomic units\)\. BOX 40, ECS angle 0\.4, angular functions 30, the refined radial grid\. The uncertainty is the largest change among the traces of the varied discretisations \(angular functions 40, radial elements and order, ECS radius 30 and 20 bohr, ECS angle 0\.3 and 0\.6, A2's radial grid\)\.

travers\_2026\_trecx/ionised\_wallace\_cep0\_Kr\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_wallace_cep0_Kr_m0",
     "material": "Kr",
     "file": "Kr/travers_2026_trecx__ionised_wallace_cep0_Kr_m0.csv",
     "table": "data/external/trecx/scan_wallace/results_kr_cep0.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00699,
         "1": 0.00728,
         "2": 0.00728,
         "3": 0.00728,
         "4": 0.00728,
         "5": 0.00728,
         "6": 0.00728,
         "7": 0.00728,
         "8": 0.00728,
         "9": 0.00728,
         "10": 0.00728,
         "11": 0.0027
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 5.5,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential); Wallace et al.'s 5.5 fs",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "4p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table II (Green, Sellin and Zachor's form): Z = 36, Z_c = 1, H = 5.507, d = 1.055",
       "model_ionization_energy_au": 0.5158494,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Kr 4p, m = 0, one active electron in zhang\_2014 Table II \(Green, Sellin and Zachor's form\)\: Z = 36, Z\_c = 1, H = 5\.507, d = 1\.055 \(as ionised\_gauss6\_Kr\_m0, with its refined radial grid and step cap 0\.00346 au\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in Wallace et al\.'s \(2016\) pulse\: a Gaussian envelope on the vector potential of 5\.5 fs full width at half maximum of the intensity at 800 nm, carrier\-envelope phase 0, from a file, then 1000 au without field; runs kr\_m0\_NN, NN the row, twelve peak intensities log\-spaced from 5e13 to 6e14 W/cm^2 \(Keldysh parameter 1\.53 to 0\.44 with the potential's own I\_p\), saturating from about 4\.8e14 at 0\.91 to 0\.96; BOX = 80 bohr \(rows 0 to 8\) and 120 \(rows 9 to 11\), angle 0\.3, cutEnergy 100\. The run without a field loses nothing to 12 digits\. The uncertainty is the largest change among the convergence runs at rows 0, 6 and 11 \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, A2's radial grid, cutEnergy 150\)\: 0\.70 % at row 0, 0\.73 % to row 10 \(BOX and the angle, through n = 9 and 10\), 0\.27 % at row 11\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_wallace\_cep90\_Kr\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_wallace_cep90_Kr_m0",
     "material": "Kr",
     "file": "Kr/travers_2026_trecx__ionised_wallace_cep90_Kr_m0.csv",
     "table": "data/external/trecx/scan_wallace/results_kr_cep90.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00699,
         "1": 0.00728,
         "2": 0.00728,
         "3": 0.00728,
         "4": 0.00728,
         "5": 0.00728,
         "6": 0.00728,
         "7": 0.00728,
         "8": 0.00728,
         "9": 0.00728,
         "10": 0.00728,
         "11": 0.0027
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 5.5,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential); Wallace et al.'s 5.5 fs",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 1.5707963267948966,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t + pi/2): a sine-like field, whose largest value is 0.981 E0",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "4p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table II (Green, Sellin and Zachor's form): Z = 36, Z_c = 1, H = 5.507, d = 1.055",
       "model_ionization_energy_au": 0.5158494,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Kr 4p, m = 0, one active electron in zhang\_2014 Table II \(Green, Sellin and Zachor's form\)\: Z = 36, Z\_c = 1, H = 5\.507, d = 1\.055 \(as ionised\_gauss6\_Kr\_m0, with its refined radial grid and step cap 0\.00346 au\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in Wallace et al\.'s \(2016\) pulse\: a Gaussian envelope on the vector potential of 5\.5 fs full width at half maximum of the intensity at 800 nm, carrier\-envelope phase pi/2, from a file, then 1000 au without field; runs kr\_m0\_NN, NN the row, twelve peak intensities log\-spaced from 5e13 to 6e14 W/cm^2 \(Keldysh parameter 1\.53 to 0\.44 with the potential's own I\_p\), saturating from about 4\.8e14 at 0\.91 to 0\.96; BOX = 80 bohr \(rows 0 to 8\) and 120 \(rows 9 to 11\), angle 0\.3, cutEnergy 100\. The run without a field loses nothing to 12 digits\. Run on the discretisation of phase 0, without convergence runs of its own\: the uncertainty is phase 0's at the same row\. Against phase 0 the yield changes by \-10\.3 to \+9\.2 %, oscillating with the intensity, against argon's \-6\.1 to \+6\.0 %\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_ci\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_ci_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_ipmatched_ci_Ar_m0.csv",
     "table": "data/external/trecx/ip_matched/results_ci.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00619,
         "1": 0.00619,
         "2": 0.00619
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9930278467,
       "model_ionization_energy_au": 0.560275,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9930278467 so that the 3p energy is 0\.560275 au, haCC's configuration\-interaction ionisation energy into 3p^\-1 \(15\.24588 eV\) \(TC\-830\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs pulse at haCC's three intensities \(4\.026783e13, 9\.605215e13, 2\.291163e14 W/cm^2\)\: runs ar\_m0\_NN; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at the middle intensity \(applied to all three\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_ci\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_ci_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_ipmatched_ci_Ar_m1.csv",
     "table": "data/external/trecx/ip_matched/results_ci.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00337,
         "1": 0.00239,
         "2": 0.00239
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9930278467,
       "model_ionization_energy_au": 0.560275,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9930278467 so that the 3p energy is 0\.560275 au, haCC's configuration\-interaction ionisation energy into 3p^\-1 \(15\.24588 eV\) \(TC\-830\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs pulse at haCC's three intensities \(4\.026783e13, 9\.605215e13, 2\.291163e14 W/cm^2\)\: runs ar\_m1\_NN; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at the middle intensity \(applied to all three\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_ci\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_ci_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__normloss_ipmatched_ci_Ar_m0.csv",
     "table": "data/external/trecx/ip_matched/results_ci.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01562,
         "1": 0.01562,
         "2": 0.01562
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9930278467,
       "model_ionization_energy_au": 0.560275,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9930278467 so that the 3p energy is 0\.560275 au, haCC's configuration\-interaction ionisation energy into 3p^\-1 \(15\.24588 eV\) \(TC\-830\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), haCC's measure; it exceeds the ionised fraction by 15 % \(m = 0, 4\.0e13\) down to 1 %, the Rydberg population absorbed after the pulse, in A2's 6 fs pulse at haCC's three intensities \(4\.026783e13, 9\.605215e13, 2\.291163e14 W/cm^2\)\: runs ar\_m0\_NN; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at the middle intensity \(applied to all three\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_ci\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_ci_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__normloss_ipmatched_ci_Ar_m1.csv",
     "table": "data/external/trecx/ip_matched/results_ci.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00804,
         "1": 0.00804,
         "2": 0.00804
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9930278467,
       "model_ionization_energy_au": 0.560275,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9930278467 so that the 3p energy is 0\.560275 au, haCC's configuration\-interaction ionisation energy into 3p^\-1 \(15\.24588 eV\) \(TC\-830\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), haCC's measure; it exceeds the ionised fraction by 15 % \(m = 0, 4\.0e13\) down to 1 %, the Rydberg population absorbed after the pulse, in A2's 6 fs pulse at haCC's three intensities \(4\.026783e13, 9\.605215e13, 2\.291163e14 W/cm^2\)\: runs ar\_m1\_NN; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at the middle intensity \(applied to all three\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_c3m1\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_c3m1_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_ipmatched_c3m1_Ar_m0.csv",
     "table": "data/external/trecx/ip_matched/results_c3m1.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00589,
         "1": 0.00589,
         "2": 0.00589
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9943617816,
       "model_ionization_energy_au": 0.56394,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9943617816 so that the 3p energy is 0\.563940 au, the effective ionisation energy of haCC's 3\-channel mMax 1 set\-up \(TC\-830\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs pulse at haCC's three intensities \(4\.026783e13, 9\.605215e13, 2\.291163e14 W/cm^2\)\: runs ar\_m0\_NN; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at the middle intensity \(applied to all three\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_c3m1\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_c3m1_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_ipmatched_c3m1_Ar_m1.csv",
     "table": "data/external/trecx/ip_matched/results_c3m1.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00425,
         "1": 0.00247,
         "2": 0.00247
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9943617816,
       "model_ionization_energy_au": 0.56394,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9943617816 so that the 3p energy is 0\.563940 au, the effective ionisation energy of haCC's 3\-channel mMax 1 set\-up \(TC\-830\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs pulse at haCC's three intensities \(4\.026783e13, 9\.605215e13, 2\.291163e14 W/cm^2\)\: runs ar\_m1\_NN; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at the middle intensity \(applied to all three\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_c3m1\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_c3m1_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__normloss_ipmatched_c3m1_Ar_m0.csv",
     "table": "data/external/trecx/ip_matched/results_c3m1.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01587,
         "1": 0.01587,
         "2": 0.01587
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9943617816,
       "model_ionization_energy_au": 0.56394,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9943617816 so that the 3p energy is 0\.563940 au, the effective ionisation energy of haCC's 3\-channel mMax 1 set\-up \(TC\-830\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), haCC's measure; it exceeds the ionised fraction by 15 % \(m = 0, 4\.0e13\) down to 1 %, the Rydberg population absorbed after the pulse, in A2's 6 fs pulse at haCC's three intensities \(4\.026783e13, 9\.605215e13, 2\.291163e14 W/cm^2\)\: runs ar\_m0\_NN; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at the middle intensity \(applied to all three\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_c3m1\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_c3m1_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__normloss_ipmatched_c3m1_Ar_m1.csv",
     "table": "data/external/trecx/ip_matched/results_c3m1.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00846,
         "1": 0.00846,
         "2": 0.00846
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9943617816,
       "model_ionization_energy_au": 0.56394,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9943617816 so that the 3p energy is 0\.563940 au, the effective ionisation energy of haCC's 3\-channel mMax 1 set\-up \(TC\-830\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), haCC's measure; it exceeds the ionised fraction by 15 % \(m = 0, 4\.0e13\) down to 1 %, the Rydberg population absorbed after the pulse, in A2's 6 fs pulse at haCC's three intensities \(4\.026783e13, 9\.605215e13, 2\.291163e14 W/cm^2\)\: runs ar\_m1\_NN; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at the middle intensity \(applied to all three\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/hacc\_normloss\_gauss6\_Ar\_c4
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "hacc_normloss_gauss6_Ar_c4",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__hacc_normloss_gauss6_Ar_c4.csv",
     "table": "data/external/trecx/ar_hacc/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "4p03e13": 0.0189,
         "9p61e13": 0.0731,
         "2p29e14": 0.0116
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "electrons": "all (haCC: 4 ion channels, mMax 0)",
       "data_set": "Ar_qz (AG-Scrinzi chemical, commit 88c17cfe12c150199bcfad92d6909267edebea21)",
       "ion_channels": 4,
       "m_max": 0,
       "l_max": 20,
       "model_ionization_energy_au": 0.5631718,
       "method": "TDSE, tRecX haCC, irECS"
     }
   }

The argon atom's single\-ionisation yield as the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), from haCC \(tRecX's hybrid anti\-symmetrised coupled channels\: all 18 electrons antisymmetrised, one in a numerical basis, the others in the ion's configuration\-interaction states\), with the Scrinzi group's Ar\_qz data set \(chemical repository commit 88c17cfe, 2025\-02\-01\: one neutral and four ion CI states; 3p ionisation energy 15\.25 eV, 3\.2 % below the measured; no spin\-orbit; added by its author as preliminary, the XUV tutorial 203ArHaCC\)\: 4 ion channels \(the three 3p^\-1 states and 3s^\-1\), mMax 0 \(the continuum electron with m = 0 only\), lMax 20, rMax 80; A2's 6 fs pulse at 800 nm\. The set\-up's effective ionisation energy, \-E of its initial state against the CI ion, is 0\.5631718 au\. Rows labelled by the intensity as the runs are named\. At 9\.6e13 W/cm^2 the run of the MPI check \(16 processes; complete over A2's window\)\. The uncertainty is the largest change among the one\-channel variations at the same intensity \(accuracy 1e\-8, rMax 120, radial order 19 and 12, lMax 30 and 40\) and the set\-up's own lMax 30 run\: the angular momentum dominates, lMax 20 being high by 1 to 7 % \(a bias, not a scatter\)\. Radial order 24 fails in haCC \(the runs' report\) and is left out\. haCC's argon iSurff integral is 250 to 290 times its norm\-loss in every run \(a property of the data set\), so only the norm\-loss is curated\.

travers\_2026\_trecx/hacc\_normloss\_gauss6\_Ar\_c3
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "hacc_normloss_gauss6_Ar_c3",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__hacc_normloss_gauss6_Ar_c3.csv",
     "table": "data/external/trecx/ar_hacc/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "9p61e13": 0.0731
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "electrons": "all (haCC: 3 ion channels, mMax 0)",
       "data_set": "Ar_qz (AG-Scrinzi chemical, commit 88c17cfe12c150199bcfad92d6909267edebea21)",
       "ion_channels": 3,
       "m_max": 0,
       "l_max": 20,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX haCC, irECS"
     }
   }

The argon atom's single\-ionisation yield as the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), from haCC \(tRecX's hybrid anti\-symmetrised coupled channels\: all 18 electrons antisymmetrised, one in a numerical basis, the others in the ion's configuration\-interaction states\), with the Scrinzi group's Ar\_qz data set \(chemical repository commit 88c17cfe, 2025\-02\-01\: one neutral and four ion CI states; 3p ionisation energy 15\.25 eV, 3\.2 % below the measured; no spin\-orbit; added by its author as preliminary, the XUV tutorial 203ArHaCC\)\: 3 ion channels \(the three 3p^\-1 states\), mMax 0 \(the continuum electron with m = 0 only\), lMax 20, rMax 80; A2's 6 fs pulse at 800 nm\. The set\-up's effective ionisation energy, \-E of its initial state against the CI ion, is 0\.5626988 au\. Rows labelled by the intensity as the runs are named\. One intensity; its lMax 30 run is 6\.8 % lower\. The uncertainty is the largest change among the one\-channel variations at the same intensity \(accuracy 1e\-8, rMax 120, radial order 19 and 12, lMax 30 and 40\) and the set\-up's own lMax 30 run\: the angular momentum dominates, lMax 20 being high by 1 to 7 % \(a bias, not a scatter\)\. Radial order 24 fails in haCC \(the runs' report\) and is left out\. haCC's argon iSurff integral is 250 to 290 times its norm\-loss in every run \(a property of the data set\), so only the norm\-loss is curated\.

travers\_2026\_trecx/ionised\_wallace\_cep0\_Xe\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_wallace_cep0_Xe_m0",
     "material": "Xe",
     "file": "Xe/travers_2026_trecx__ionised_wallace_cep0_Xe_m0.csv",
     "table": "data/external/trecx/scan_wallace/results_xe_cep0.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00839,
         "1": 0.01169,
         "2": 0.01169,
         "3": 0.01169,
         "4": 0.01169,
         "5": 0.01169,
         "6": 0.01169,
         "7": 0.01169,
         "8": 0.01169,
         "9": 0.01169,
         "10": 0.01169,
         "11": 0.0003
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 5.5,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential); Wallace et al.'s 5.5 fs",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t): the field's largest maximum is at the peak of the envelope (cosine-like field)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "5p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table I (Tong and Lin's form): Z_c = 1, a_1 ... a_6 = 51.356, 2.112, -99.927, 3.737, 1.644, 0.431",
       "model_ionization_energy_au": 0.4448129,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Xe 5p, m = 0, one active electron in zhang\_2014 Table I \(Tong and Lin's form\)\: Z\_c = 1, a\_1 \.\.\. a\_6 = 51\.356, 2\.112, \-99\.927, 3\.737, 1\.644, 0\.431 \(as ionised\_gauss6\_Xe\_m0, with its refined radial grid and step cap 0\.00136 au\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in Wallace et al\.'s \(2016\) pulse\: a Gaussian envelope on the vector potential of 5\.5 fs full width at half maximum of the intensity at 800 nm, carrier\-envelope phase 0, from a file, then 1000 au without field; runs xe\_m0\_NN, NN the row, twelve peak intensities log\-spaced from 5e13 to 6e14 W/cm^2 \(Keldysh parameter 1\.42 to 0\.41 with the potential's own I\_p\), saturating from about 2\.4e14 at 0\.90 to 0\.96, with 4 to 7 % left in excited states; BOX = 80 bohr \(rows 0 to 8\) and 120 \(rows 9 to 11\), angle 0\.3, cutEnergy 100\. The run without a field loses nothing to 12 digits\. 23 runs \(rows 0 to 6, the convergence runs at rows 0 and 6 and three at row 11\) were stopped by a time limit 35 to 99\.7 % through and continued from their checkpoints; the norm continues smoothly across the restart, and the expectation rows missing at six kill times all lie after the pulse\. The uncertainty is the largest change among the convergence runs at rows 0, 6 and 11 \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, A2's radial grid, cutEnergy 150\)\: 0\.84 % at row 0, 1\.2 % to row 10 \(cutEnergy 150 at row 6, which moves population between the continuum and the excited states\), 0\.03 % at row 11\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_wallace\_cep90\_Xe\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_wallace_cep90_Xe_m0",
     "material": "Xe",
     "file": "Xe/travers_2026_trecx__ionised_wallace_cep90_Xe_m0.csv",
     "table": "data/external/trecx/scan_wallace/results_xe_cep90.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00839,
         "1": 0.01169,
         "2": 0.01169,
         "3": 0.01169,
         "4": 0.01169,
         "5": 0.01169,
         "6": 0.01169,
         "7": 0.01169,
         "8": 0.01169,
         "9": 0.01169,
         "10": 0.01169,
         "11": 0.0003
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 5.5,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential); Wallace et al.'s 5.5 fs",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 1.5707963267948966,
       "cep_definition": "A(t) = (E0/omega) g(t) sin(omega t + pi/2): a sine-like field, whose largest value is 0.981 E0",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "5p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table I (Tong and Lin's form): Z_c = 1, a_1 ... a_6 = 51.356, 2.112, -99.927, 3.737, 1.644, 0.431",
       "model_ionization_energy_au": 0.4448129,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Xe 5p, m = 0, one active electron in zhang\_2014 Table I \(Tong and Lin's form\)\: Z\_c = 1, a\_1 \.\.\. a\_6 = 51\.356, 2\.112, \-99\.927, 3\.737, 1\.644, 0\.431 \(as ionised\_gauss6\_Xe\_m0, with its refined radial grid and step cap 0\.00136 au\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in Wallace et al\.'s \(2016\) pulse\: a Gaussian envelope on the vector potential of 5\.5 fs full width at half maximum of the intensity at 800 nm, carrier\-envelope phase pi/2, from a file, then 1000 au without field; runs xe\_m0\_NN, NN the row, twelve peak intensities log\-spaced from 5e13 to 6e14 W/cm^2 \(Keldysh parameter 1\.42 to 0\.41 with the potential's own I\_p\), saturating from about 2\.4e14 at 0\.90 to 0\.96, with 4 to 7 % left in excited states; BOX = 80 bohr \(rows 0 to 8\) and 120 \(rows 9 to 11\), angle 0\.3, cutEnergy 100\. The run without a field loses nothing to 12 digits\. Run on the discretisation of phase 0, without convergence runs of its own\: the uncertainty is phase 0's at the same row\. Against phase 0 the yield changes by \-17\.7 to \+9\.4 %, oscillating with the intensity, against krypton's \-10\.3 to \+9\.2 % and argon's \-6\.1 to \+6\.0 %; within 0\.3 % in saturation\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/outside20\_sin2\_m1\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "outside20_sin2_m1_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__outside20_sin2_m1_Ar_m0.csv",
     "table": "data/external/trecx/scan_sin2/results_m1_ar.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00275,
         "1": 0.00275,
         "2": 0.00275
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1200,
       "pulse_fs": 12.008,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau",
       "measure": "the probability outside r = 20 au at the end of the pulse, 1 - <chi[0,20]>",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in the potential below \(part M of the runs, M1\)\: the probability outside r = 20 au at the end of the pulse, 1 \- \<chi\[0,20\]\> \(column chi20\_loss\_pe; what irECS has absorbed counts as outside\)\: the measure of the papers' many\-electron calculations, 'the probability of finding an electron outside a sphere of 20 a\.u\.'; independent of the box \(BOX \+ 40\: \<= 0\.001 %\), in the pulse of Pathak, Sato and Ishikawa 2020 \(J\. Chem\. Phys\. 153, 034110\), Eq\. \(29\), their argon at 1200 nm\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(496\.44 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1, 2 and 4e14 W/cm^2; the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_sin2\_m1\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_sin2_m1_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_sin2_m1_Ar_m0.csv",
     "table": "data/external/trecx/scan_sin2/results_m1_ar.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00171,
         "1": 0.00171,
         "2": 0.00171
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1200,
       "pulse_fs": 12.008,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in the potential below \(part M of the runs, M1\)\: the ionised fraction\: 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in the pulse of Pathak, Sato and Ishikawa 2020 \(J\. Chem\. Phys\. 153, 034110\), Eq\. \(29\), their argon at 1200 nm\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(496\.44 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1, 2 and 4e14 W/cm^2; the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/outside20\_sin2\_m1\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "outside20_sin2_m1_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__outside20_sin2_m1_Ar_m1.csv",
     "table": "data/external/trecx/scan_sin2/results_m1_ar.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00275,
         "1": 0.00275,
         "2": 0.00275
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1200,
       "pulse_fs": 12.008,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau",
       "measure": "the probability outside r = 20 au at the end of the pulse, 1 - <chi[0,20]>",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in the potential below \(part M of the runs, M1\)\: the probability outside r = 20 au at the end of the pulse, 1 \- \<chi\[0,20\]\> \(column chi20\_loss\_pe; what irECS has absorbed counts as outside\)\: the measure of the papers' many\-electron calculations, 'the probability of finding an electron outside a sphere of 20 a\.u\.'; independent of the box \(BOX \+ 40\: \<= 0\.001 %\), in the pulse of Pathak, Sato and Ishikawa 2020 \(J\. Chem\. Phys\. 153, 034110\), Eq\. \(29\), their argon at 1200 nm\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(496\.44 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1, 2 and 4e14 W/cm^2; the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\); m = 1 takes m = 0's\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_sin2\_m1\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_sin2_m1_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_sin2_m1_Ar_m1.csv",
     "table": "data/external/trecx/scan_sin2/results_m1_ar.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00171,
         "1": 0.00171,
         "2": 0.00171
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1200,
       "pulse_fs": 12.008,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in the potential below \(part M of the runs, M1\)\: the ionised fraction\: 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in the pulse of Pathak, Sato and Ishikawa 2020 \(J\. Chem\. Phys\. 153, 034110\), Eq\. \(29\), their argon at 1200 nm\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(496\.44 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1, 2 and 4e14 W/cm^2; the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\); m = 1 takes m = 0's\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/outside20\_sin2\_m1mk\_ArMK\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "outside20_sin2_m1mk_ArMK_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__outside20_sin2_m1mk_ArMK_m0.csv",
     "table": "data/external/trecx/scan_sin2/results_m1_mk.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0036,
         "1": 0.0036,
         "2": 0.0036
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1200,
       "pulse_fs": 12.008,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau",
       "measure": "the probability outside r = 20 au at the end of the pulse, 1 - <chi[0,20]>",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Muller and Kooiman's form as Pathak et al. 2020 Eq. (31): V = -(1 + 5.4 exp(-r) + 11.6 exp(-3.682 r))/r (A = 5.4, B = 3.682, Z = 18)",
       "model_ionization_energy_au": 0.581373,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in their potential below \(part M of the runs, M1\(b\)\)\: the probability outside r = 20 au at the end of the pulse, 1 \- \<chi\[0,20\]\> \(column chi20\_loss\_pe; what irECS has absorbed counts as outside\)\: the measure of the papers' many\-electron calculations, 'the probability of finding an electron outside a sphere of 20 a\.u\.'; independent of the box \(BOX \+ 40\: \<= 0\.001 %\), in the pulse of Pathak, Sato and Ishikawa 2020, Eq\. \(29\), with their own single\-active\-electron potential \(Eqs\. 30\-32\)\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(496\.44 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1, 2 and 4e14 W/cm^2; the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_sin2\_m1mk\_ArMK\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_sin2_m1mk_ArMK_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_sin2_m1mk_ArMK_m0.csv",
     "table": "data/external/trecx/scan_sin2/results_m1_mk.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00259,
         "1": 0.00259,
         "2": 0.00259
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 1200,
       "pulse_fs": 12.008,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Muller and Kooiman's form as Pathak et al. 2020 Eq. (31): V = -(1 + 5.4 exp(-r) + 11.6 exp(-3.682 r))/r (A = 5.4, B = 3.682, Z = 18)",
       "model_ionization_energy_au": 0.581373,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in their potential below \(part M of the runs, M1\(b\)\)\: the ionised fraction\: 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in the pulse of Pathak, Sato and Ishikawa 2020, Eq\. \(29\), with their own single\-active\-electron potential \(Eqs\. 30\-32\)\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(496\.44 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1, 2 and 4e14 W/cm^2; the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/outside20\_sin2\_m2\_Kr\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "outside20_sin2_m2_Kr_m0",
     "material": "Kr",
     "file": "Kr/travers_2026_trecx__outside20_sin2_m2_Kr_m0.csv",
     "table": "data/external/trecx/scan_sin2/results_m2_kr.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00092,
         "1": 0.00092,
         "2": 0.00092
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 8.005,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau (assumed: the paper does not state it)",
       "measure": "the probability outside r = 20 au at the end of the pulse, 1 - <chi[0,20]>",
       "orbital": "4p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table II (Green, Sellin and Zachor's form): Z = 36, Z_c = 1, H = 5.507, d = 1.055",
       "model_ionization_energy_au": 0.5158494,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Kr 4p, m = 0, one active electron in the potential below \(part M of the runs, M2\)\: the probability outside r = 20 au at the end of the pulse, 1 \- \<chi\[0,20\]\> \(column chi20\_loss\_pe; what irECS has absorbed counts as outside\)\: the measure of the papers' many\-electron calculations, 'the probability of finding an electron outside a sphere of 20 a\.u\.'; independent of the box \(BOX \+ 40\: \<= 0\.001 %\), in the pulse of Pathak, Sato and Ishikawa 2022 \(Front\. Chem\. 10, 982120\), their krypton at 800 nm\: the envelope and the carrier\-envelope phase are not stated there; the same group's form is assumed\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(330\.96 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1\.6, 2\.0 and 2\.5e14 W/cm^2 \(theirs 2\.0e14\); the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150, A2's radial grid\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_sin2\_m2\_Kr\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_sin2_m2_Kr_m0",
     "material": "Kr",
     "file": "Kr/travers_2026_trecx__ionised_sin2_m2_Kr_m0.csv",
     "table": "data/external/trecx/scan_sin2/results_m2_kr.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00459,
         "1": 0.00459,
         "2": 0.00459
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 8.005,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau (assumed: the paper does not state it)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "4p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table II (Green, Sellin and Zachor's form): Z = 36, Z_c = 1, H = 5.507, d = 1.055",
       "model_ionization_energy_au": 0.5158494,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Kr 4p, m = 0, one active electron in the potential below \(part M of the runs, M2\)\: the ionised fraction\: 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in the pulse of Pathak, Sato and Ishikawa 2022 \(Front\. Chem\. 10, 982120\), their krypton at 800 nm\: the envelope and the carrier\-envelope phase are not stated there; the same group's form is assumed\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(330\.96 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1\.6, 2\.0 and 2\.5e14 W/cm^2 \(theirs 2\.0e14\); the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150, A2's radial grid\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/outside20\_sin2\_m2\_Kr\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "outside20_sin2_m2_Kr_m1",
     "material": "Kr",
     "file": "Kr/travers_2026_trecx__outside20_sin2_m2_Kr_m1.csv",
     "table": "data/external/trecx/scan_sin2/results_m2_kr.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00092,
         "1": 0.00092,
         "2": 0.00092
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 8.005,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau (assumed: the paper does not state it)",
       "measure": "the probability outside r = 20 au at the end of the pulse, 1 - <chi[0,20]>",
       "orbital": "4p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table II (Green, Sellin and Zachor's form): Z = 36, Z_c = 1, H = 5.507, d = 1.055",
       "model_ionization_energy_au": 0.5158494,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Kr 4p, m = 1, one active electron in the potential below \(part M of the runs, M2\)\: the probability outside r = 20 au at the end of the pulse, 1 \- \<chi\[0,20\]\> \(column chi20\_loss\_pe; what irECS has absorbed counts as outside\)\: the measure of the papers' many\-electron calculations, 'the probability of finding an electron outside a sphere of 20 a\.u\.'; independent of the box \(BOX \+ 40\: \<= 0\.001 %\), in the pulse of Pathak, Sato and Ishikawa 2022 \(Front\. Chem\. 10, 982120\), their krypton at 800 nm\: the envelope and the carrier\-envelope phase are not stated there; the same group's form is assumed\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(330\.96 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1\.6, 2\.0 and 2\.5e14 W/cm^2 \(theirs 2\.0e14\); the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150, A2's radial grid\); m = 1 takes m = 0's\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_sin2\_m2\_Kr\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_sin2_m2_Kr_m1",
     "material": "Kr",
     "file": "Kr/travers_2026_trecx__ionised_sin2_m2_Kr_m1.csv",
     "table": "data/external/trecx/scan_sin2/results_m2_kr.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00459,
         "1": 0.00459,
         "2": 0.00459
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 8.005,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau (assumed: the paper does not state it)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "4p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table II (Green, Sellin and Zachor's form): Z = 36, Z_c = 1, H = 5.507, d = 1.055",
       "model_ionization_energy_au": 0.5158494,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Kr 4p, m = 1, one active electron in the potential below \(part M of the runs, M2\)\: the ionised fraction\: 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in the pulse of Pathak, Sato and Ishikawa 2022 \(Front\. Chem\. 10, 982120\), their krypton at 800 nm\: the envelope and the carrier\-envelope phase are not stated there; the same group's form is assumed\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(330\.96 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 1\.6, 2\.0 and 2\.5e14 W/cm^2 \(theirs 2\.0e14\); the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150, A2's radial grid\); m = 1 takes m = 0's\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/outside20\_sin2\_m3\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "outside20_sin2_m3_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__outside20_sin2_m3_Ar_m0.csv",
     "table": "data/external/trecx/scan_sin2/results_m3_ar.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.002,
         "1": 0.002,
         "2": 0.002
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 8.005,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau (assumed: the paper does not state it)",
       "measure": "the probability outside r = 20 au at the end of the pulse, 1 - <chi[0,20]>",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in the potential below \(part M of the runs, M3\)\: the probability outside r = 20 au at the end of the pulse, 1 \- \<chi\[0,20\]\> \(column chi20\_loss\_pe; what irECS has absorbed counts as outside\)\: the measure of the papers' many\-electron calculations, 'the probability of finding an electron outside a sphere of 20 a\.u\.'; independent of the box \(BOX \+ 40\: \<= 0\.001 %\), in the pulse of Sato et al\. 2018 \(J\. Chem\. Phys\. 148, 051101\), their argon at 800 nm \('a foot\-to\-foot pulse duration of three optical cycles with a sin2\-shaped envelope'\); the envelope's placement on the field and the sine carrier assumed from the group's form\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(330\.96 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 3\.0, 4\.5 and 6\.0e14 W/cm^2 \(theirs 6e14\); the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_sin2\_m3\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_sin2_m3_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_sin2_m3_Ar_m0.csv",
     "table": "data/external/trecx/scan_sin2/results_m3_ar.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00182,
         "1": 0.00182,
         "2": 0.00182
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 8.005,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau (assumed: the paper does not state it)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in the potential below \(part M of the runs, M3\)\: the ionised fraction\: 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in the pulse of Sato et al\. 2018 \(J\. Chem\. Phys\. 148, 051101\), their argon at 800 nm \('a foot\-to\-foot pulse duration of three optical cycles with a sin2\-shaped envelope'\); the envelope's placement on the field and the sine carrier assumed from the group's form\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(330\.96 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 3\.0, 4\.5 and 6\.0e14 W/cm^2 \(theirs 6e14\); the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/outside20\_sin2\_m3\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "outside20_sin2_m3_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__outside20_sin2_m3_Ar_m1.csv",
     "table": "data/external/trecx/scan_sin2/results_m3_ar.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.002,
         "1": 0.002,
         "2": 0.002
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 8.005,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau (assumed: the paper does not state it)",
       "measure": "the probability outside r = 20 au at the end of the pulse, 1 - <chi[0,20]>",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in the potential below \(part M of the runs, M3\)\: the probability outside r = 20 au at the end of the pulse, 1 \- \<chi\[0,20\]\> \(column chi20\_loss\_pe; what irECS has absorbed counts as outside\)\: the measure of the papers' many\-electron calculations, 'the probability of finding an electron outside a sphere of 20 a\.u\.'; independent of the box \(BOX \+ 40\: \<= 0\.001 %\), in the pulse of Sato et al\. 2018 \(J\. Chem\. Phys\. 148, 051101\), their argon at 800 nm \('a foot\-to\-foot pulse duration of three optical cycles with a sin2\-shaped envelope'\); the envelope's placement on the field and the sine carrier assumed from the group's form\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(330\.96 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 3\.0, 4\.5 and 6\.0e14 W/cm^2 \(theirs 6e14\); the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\); m = 1 takes m = 0's\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_sin2\_m3\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_sin2_m3_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_sin2_m3_Ar_m1.csv",
     "table": "data/external/trecx/scan_sin2/results_m3_ar.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00182,
         "1": 0.00182,
         "2": 0.00182
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 8.005,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 3 cycles",
       "pulse_cycles": 3,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau (assumed: the paper does not state it)",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar: V = -(1 + 16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r))/r",
       "model_ionization_energy_au": 0.579689,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in the potential below \(part M of the runs, M3\)\: the ionised fraction\: 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in the pulse of Sato et al\. 2018 \(J\. Chem\. Phys\. 148, 051101\), their argon at 800 nm \('a foot\-to\-foot pulse duration of three optical cycles with a sin2\-shaped envelope'\); the envelope's placement on the field and the sine carrier assumed from the group's form\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 3 cycles \(330\.96 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 3\.0, 4\.5 and 6\.0e14 W/cm^2 \(theirs 6e14\); the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.936525 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.3, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\); m = 1 takes m = 0's\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/outside20\_sin2\_m4\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "outside20_sin2_m4_He",
     "material": "He",
     "file": "He/travers_2026_trecx__outside20_sin2_m4_He.csv",
     "table": "data/external/trecx/scan_sin2/results_m4_he.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0117,
         "1": 0.0117,
         "2": 0.0117
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 16.011,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 6 cycles",
       "pulse_cycles": 6,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau",
       "measure": "the probability outside r = 20 au at the end of the pulse, 1 - <chi[0,20]>",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "model_ionization_energy_au": 0.903801,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

He 1s, m = 0, one active electron in the potential below \(part M of the runs, M4\)\: the probability outside r = 20 au at the end of the pulse, 1 \- \<chi\[0,20\]\> \(column chi20\_loss\_pe; what irECS has absorbed counts as outside\)\: the measure of the papers' many\-electron calculations, 'the probability of finding an electron outside a sphere of 20 a\.u\.'; independent of the box \(BOX \+ 40\: \<= 0\.001 %\), in the pulse of Sato et al\. 2016 \(Phys\. Rev\. A 94, 023405\), Eq\. \(27\), their helium at 800 nm\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 6 cycles \(661\.92 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 4, 8 and 14e14 W/cm^2; the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.98319 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.15, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\)\. The helium top row \(1\.4e15, BOX 160\) has the widest angular range and its angular convergence was checked only at 8e14\: about \+\-2 % there \(the runs' report\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_sin2\_m4\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_sin2_m4_He",
     "material": "He",
     "file": "He/travers_2026_trecx__ionised_sin2_m4_He.csv",
     "table": "data/external/trecx/scan_sin2/results_m4_he.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01334,
         "1": 0.01334,
         "2": 0.01334
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 16.011,
       "pulse_fs_definition": "the total, foot-to-foot duration tau of the sin^2 envelope on the field: 6 cycles",
       "pulse_cycles": 6,
       "polarization": "linear",
       "pulse_envelope": "sin^2",
       "envelope_of": "field",
       "cep": "sine carrier",
       "cep_definition": "E(t) = E0 sin(omega t) sin^2(pi t / tau), 0 <= t <= tau",
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "model_ionization_energy_au": 0.903801,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

He 1s, m = 0, one active electron in the potential below \(part M of the runs, M4\)\: the ionised fraction\: 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in the pulse of Sato et al\. 2016 \(Phys\. Rev\. A 94, 023405\), Eq\. \(27\), their helium at 800 nm\: E\(t\) = E0 sin\(omega t\) sin^2\(pi t / tau\) on the field, tau = 6 cycles \(661\.92 au\) foot to foot, A = \-int E dt in closed form from a file \(the field as run within 2\.9e\-9 E0 of the formula\), then 1000 au without field; 4, 8 and 14e14 W/cm^2; the abscissa is I0 = E0^2, whose peak field the envelope reaches only to 0\.98319 E0 \(the carrier's maximum is off the envelope's peak\)\. BOX from the quiver radius \(80 to 200 bohr\), angle 0\.15, cutEnergy 100\. The run without a field loses less than 1\.2e\-8; every row is far above it\. The uncertainty is the largest change among the convergence runs at the middle intensity \(angular functions 40 and 50, radial elements and order, BOX \+ 40, step x 2/3, ECS angle x 2/3, operator threshold, cutEnergy 150\)\. The helium top row \(1\.4e15, BOX 160\) has the widest angular range and its angular convergence was checked only at 8e14\: about \+\-2 % there \(the runs' report\)\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_c3\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_c3_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_ipmatched_c3_Ar_m0.csv",
     "table": "data/external/trecx/ip_matched/results_c3_6fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00589
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9939109898,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9939109898 so that the 3p energy is 0\.5626988 au, the effective ionisation energy of haCC's 3\-channel mMax 0 set\-up \(E3 of the runs, TC\-861\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs pulse at 9\.605215e13 W/cm^2\: run ar\_m0\_00; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. Run without convergence runs of its own\: the uncertainty is that of normloss/ionised\_ipmatched\_c3m1 \(the same pulse and discretisation, the ionisation energy 0\.2 % apart\) at the same intensity, and at least the loss without a field over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_c3\_20fs\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_c3_20fs_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_ipmatched_c3_20fs_Ar_m0.csv",
     "table": "data/external/trecx/ip_matched/results_c3_20fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00229
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 20,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9939109898,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9939109898 so that the 3p energy is 0\.5626988 au, the effective ionisation energy of haCC's 3\-channel mMax 0 set\-up \(E3 of the runs, TC\-861\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in E3's 20 fs Gaussian on the vector potential \(7\.50 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0, window \[\-3T, \+3T \+ 1000 au\]\) at 9\.605215e13 W/cm^2\: run ar\_m0\_00; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at this intensity \(m = 0; m = 1 takes them\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_c3\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_c3_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_ipmatched_c3_Ar_m1.csv",
     "table": "data/external/trecx/ip_matched/results_c3_6fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00425
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9939109898,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9939109898 so that the 3p energy is 0\.5626988 au, the effective ionisation energy of haCC's 3\-channel mMax 0 set\-up \(E3 of the runs, TC\-861\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs pulse at 9\.605215e13 W/cm^2\: run ar\_m1\_00; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. Run without convergence runs of its own\: the uncertainty is that of normloss/ionised\_ipmatched\_c3m1 \(the same pulse and discretisation, the ionisation energy 0\.2 % apart\) at the same intensity, and at least the loss without a field over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_c3\_20fs\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_c3_20fs_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__ionised_ipmatched_c3_20fs_Ar_m1.csv",
     "table": "data/external/trecx/ip_matched/results_c3_20fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00229
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 20,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the ionised fraction: 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9939109898,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9939109898 so that the 3p energy is 0\.5626988 au, the effective ionisation energy of haCC's 3\-channel mMax 0 set\-up \(E3 of the runs, TC\-861\)\: the ionised fraction, 1 \- \(ground \+ every bound state up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in E3's 20 fs Gaussian on the vector potential \(7\.50 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0, window \[\-3T, \+3T \+ 1000 au\]\) at 9\.605215e13 W/cm^2\: run ar\_m1\_00; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at this intensity \(m = 0; m = 1 takes them\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_c3\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_c3_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__normloss_ipmatched_c3_Ar_m0.csv",
     "table": "data/external/trecx/ip_matched/results_c3_6fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01587
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9939109898,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9939109898 so that the 3p energy is 0\.5626988 au, the effective ionisation energy of haCC's 3\-channel mMax 0 set\-up \(E3 of the runs, TC\-861\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), haCC's measure; it exceeds the ionised fraction by 15 % \(m = 0, 4\.0e13\) down to 1 %, the Rydberg population absorbed after the pulse, in A2's 6 fs pulse at 9\.605215e13 W/cm^2\: run ar\_m0\_00; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. Run without convergence runs of its own\: the uncertainty is that of normloss/ionised\_ipmatched\_c3m1 \(the same pulse and discretisation, the ionisation energy 0\.2 % apart\) at the same intensity, and at least the loss without a field over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_c3\_20fs\_Ar\_m0
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_c3_20fs_Ar_m0",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__normloss_ipmatched_c3_20fs_Ar_m0.csv",
     "table": "data/external/trecx/ip_matched/results_c3_20fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00418
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 20,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "3p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9939109898,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 0, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9939109898 so that the 3p energy is 0\.5626988 au, the effective ionisation energy of haCC's 3\-channel mMax 0 set\-up \(E3 of the runs, TC\-861\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), haCC's measure; it exceeds the ionised fraction by 15 % \(m = 0, 4\.0e13\) down to 1 %, the Rydberg population absorbed after the pulse, in E3's 20 fs Gaussian on the vector potential \(7\.50 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0, window \[\-3T, \+3T \+ 1000 au\]\) at 9\.605215e13 W/cm^2\: run ar\_m0\_00; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at this intensity \(m = 0; m = 1 takes them\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_c3\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_c3_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__normloss_ipmatched_c3_Ar_m1.csv",
     "table": "data/external/trecx/ip_matched/results_c3_6fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00846
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9939109898,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9939109898 so that the 3p energy is 0\.5626988 au, the effective ionisation energy of haCC's 3\-channel mMax 0 set\-up \(E3 of the runs, TC\-861\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), haCC's measure; it exceeds the ionised fraction by 15 % \(m = 0, 4\.0e13\) down to 1 %, the Rydberg population absorbed after the pulse, in A2's 6 fs pulse at 9\.605215e13 W/cm^2\: run ar\_m1\_00; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. Run without convergence runs of its own\: the uncertainty is that of normloss/ionised\_ipmatched\_c3m1 \(the same pulse and discretisation, the ionisation energy 0\.2 % apart\) at the same intensity, and at least the loss without a field over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_c3\_20fs\_Ar\_m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_c3_20fs_Ar_m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__normloss_ipmatched_c3_20fs_Ar_m1.csv",
     "table": "data/external/trecx/ip_matched/results_c3_20fs.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.00418
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 20,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "3p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, Ar, with the short-range terms scaled by beta (zhao_2016 Eq. 3): V = -(1 + beta (16.039 exp(-2.007 r) - 25.543 r exp(-4.525 r) + 0.961 exp(-0.443 r)))/r",
       "potential_scale": 0.9939109898,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Ar 3p, m = 1, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9939109898 so that the 3p energy is 0\.5626988 au, the effective ionisation energy of haCC's 3\-channel mMax 0 set\-up \(E3 of the runs, TC\-861\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), haCC's measure; it exceeds the ionised fraction by 15 % \(m = 0, 4\.0e13\) down to 1 %, the Rydberg population absorbed after the pulse, in E3's 20 fs Gaussian on the vector potential \(7\.50 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0, window \[\-3T, \+3T \+ 1000 au\]\) at 9\.605215e13 W/cm^2\: run ar\_m1\_00; A2's discretisation \(BOX 80, angle 0\.3, cutEnergy 100\)\. The uncertainty is the largest change among A2's convergence runs at this intensity \(m = 0; m = 1 takes them\), and at least the loss without a field \(8e\-10\) over the yield\. The like\-for\-like reference of haCC's all\-electron argon \(hacc\_normloss\_gauss6\_Ar\_\*\)\: one electron at the atom's ionisation energy\. The yield of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/hacc\_normloss\_gauss6\_Ar\_c3m1
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "hacc_normloss_gauss6_Ar_c3m1",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__hacc_normloss_gauss6_Ar_c3m1.csv",
     "table": "data/external/trecx/ar_hacc/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "9p61e13": 0.07307
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "electrons": "all (haCC: 3 ion channels, mMax 1)",
       "data_set": "Ar_qz (AG-Scrinzi chemical, commit 88c17cfe12c150199bcfad92d6909267edebea21)",
       "ion_channels": 3,
       "m_max": 1,
       "l_max": 20,
       "model_ionization_energy_au": 0.5639401,
       "method": "TDSE, tRecX haCC, irECS"
     }
   }

The argon atom's single\-ionisation yield as the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), from haCC \(tRecX's hybrid anti\-symmetrised coupled channels\: all 18 electrons antisymmetrised, one in a numerical basis, the others in the ion's configuration\-interaction states\), with the Scrinzi group's Ar\_qz data set \(chemical repository commit 88c17cfe, 2025\-02\-01\: one neutral and four ion CI states; 3p ionisation energy 15\.25 eV, 3\.2 % below the measured; no spin\-orbit; added by its author as preliminary, the XUV tutorial 203ArHaCC\)\: 3 ion channels \(the three 3p^\-1 states\), mMax 1 \(the continuum electron with \|m\| \<= 1\), lMax 20, rMax 80; A2's 6 fs pulse at 800 nm\. The set\-up's effective ionisation energy, \-E of its initial state against the CI ion, is 0\.5639401 au\. Rows labelled by the intensity as the runs are named\. One intensity \(run e2\_9p61e13\_c3m1, 74\.7 h; recorded complete on 6 October 2026, missing from the table of TC\-847\); no lMax 30 run\. The uncertainty is the largest change among the one\-channel variations at the same intensity \(accuracy 1e\-8, rMax 120, radial order 19 and 12, lMax 30 and 40\) and the set\-up's own lMax 30 run\: the angular momentum dominates, lMax 20 being high by 1 to 7 % \(a bias, not a scatter\)\. Radial order 24 fails in haCC \(the runs' report\) and is left out\. haCC's argon iSurff integral is 250 to 290 times its norm\-loss in every run \(a property of the data set\), so only the norm\-loss is curated\.

travers\_2026\_trecx/hacc\_normloss\_gauss20\_Ar\_c3
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "hacc_normloss_gauss20_Ar_c3",
     "material": "Ar",
     "file": "Ar/travers_2026_trecx__hacc_normloss_gauss20_Ar_c3.csv",
     "table": "data/external/trecx/ar_hacc/results.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "9p61e13": 0.07307
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 800,
       "pulse_fs": 20,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "measure": "the norm-loss 1000 au after the pulse",
       "electrons": "all (haCC: 3 ion channels, mMax 0)",
       "data_set": "Ar_qz (AG-Scrinzi chemical, commit 88c17cfe12c150199bcfad92d6909267edebea21)",
       "ion_channels": 3,
       "m_max": 0,
       "l_max": 20,
       "model_ionization_energy_au": 0.5626988,
       "method": "TDSE, tRecX haCC, irECS"
     }
   }

The argon atom's single\-ionisation yield as the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), from haCC \(tRecX's hybrid anti\-symmetrised coupled channels\: all 18 electrons antisymmetrised, one in a numerical basis, the others in the ion's configuration\-interaction states\), with the Scrinzi group's Ar\_qz data set \(chemical repository commit 88c17cfe, 2025\-02\-01\: one neutral and four ion CI states; 3p ionisation energy 15\.25 eV, 3\.2 % below the measured; no spin\-orbit; added by its author as preliminary, the XUV tutorial 203ArHaCC\)\: 3 ion channels \(the three 3p^\-1 states\), mMax 0 \(the continuum electron with m = 0 only\), lMax 20, rMax 80; E3's 20 fs Gaussian on the vector potential at 800 nm \(7\.50 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0, window \[\-3T, \+3T \+ 1000 au\]; the yield 2\.40 times the 6 fs window's\)\. The set\-up's effective ionisation energy, \-E of its initial state against the CI ion, is 0\.5626988 au\. Rows labelled by the intensity as the runs are named\. One intensity \(run e3\_9p61e13\_c3\_20fs, 47\.6 h\); its lMax 30 run \(e3\_9p61e13\_c3l30\_20fs\) is 3\.1 % lower, against 6\.8 % at 6 fs, so the angular correction does not cancel between the pulse lengths\. The uncertainty is the largest change among the one\-channel variations at the same intensity \(accuracy 1e\-8, rMax 120, radial order 19 and 12, lMax 30 and 40\) and the set\-up's own lMax 30 run\: the angular momentum dominates, lMax 20 being high by 1 to 7 % \(a bias, not a scatter\)\. Radial order 24 fails in haCC \(the runs' report\) and is left out\. haCC's argon iSurff integral is 250 to 290 times its norm\-loss in every run \(a property of the data set\), so only the norm\-loss is curated\.

travers\_2026\_trecx/twoelectron\_normloss\_gauss6\_390nm\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "twoelectron_normloss_gauss6_390nm_He",
     "material": "He",
     "file": "He/travers_2026_trecx__twoelectron_normloss_gauss6_390nm_He.csv",
     "table": "data/external/trecx/he_two_electron/results_2e.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "5p69e14": 0.0585,
         "3p68e14": 0.0585
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the norm-loss 1000 au after the pulse",
       "electrons": "two active electrons (the whole atom)",
       "basis": "|m| <= 1, l <= 15, Lshape[3;5], BOX 40",
       "method": "TDSE of two electrons, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9018542
     }
   }

Helium with both electrons active, the time\-dependent Schrödinger equation of the whole atom in tRecX \(part K of the runs, step 2\)\: total M = 0, \|m\| \<= 1, l \<= 15 per electron with Lshape\[3;5\] \(one electron to l = 15 while the other has l \<= 2\), multipole order 4; radial 2 elements on \[0, 2\], 8 on \[2, BOX\] \(order 12\) and 20 exponential functions beyond, ECS angle 0\.15 from BOX = 40 bohr; the single\-particle spectrum projected above cutEnergy 100; RK4, the step 0\.0086 \(0\.0088 at 3\.68e14\) au; MPI build a987d7c on 16 ranks\. The atom's single\-ionisation yield as the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), 1 \- the norm on the unscaled region, in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\]\. Runs k2\_5p69e14 and k2\_3p68e14 at 5\.68981e14 and 3\.684031e14 W/cm2 \(rows labelled so\)\: 7\.330e\-3 and 8\.623e\-4, 80 and 66 h; initial energy \-2\.9018542200 au \(ionisation energy 0\.9018542, 0\.21 % below the exact 0\.9037244\)\. The run without a field loses 3\.9e\-10 per au, 1e\-6 over the window\. The uncertainty is the largest change among the base's variations at 5\.69e14 W/cm2 \(step x 2/3 \-0\.014 %, l \<= 19 \+0\.006 %, \|m\| \<= 2 with Lshape\[4;6\] \-1\.7 % at its own ionisation energy, BOX 60 \-5\.85 %\)\: the box, not converged; BOX 80, about a week on 16 ranks, was not run \(the maintainer\)\. At 3\.68e14 the norm\-loss falls by 5 % after the pulse \(9\.08e\-4 at \+3T\), slow electrons near the scaling radius, as one electron in the same box\. The bound\-state populations and P\(ground\) were not obtainable at 3\.8 to 7\.3 million coefficients\.

travers\_2026\_trecx/twoelectron\_normloss\_gauss6\_390nm\_He\_box60
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "twoelectron_normloss_gauss6_390nm_He_box60",
     "material": "He",
     "file": "He/travers_2026_trecx__twoelectron_normloss_gauss6_390nm_He_box60.csv",
     "table": "data/external/trecx/he_two_electron/results_2e.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "5p69e14": 0.0585
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the norm-loss 1000 au after the pulse",
       "electrons": "two active electrons (the whole atom)",
       "basis": "|m| <= 1, l <= 15, Lshape[3;5], BOX 60",
       "method": "TDSE of two electrons, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9018541
     }
   }

Helium with both electrons active, the time\-dependent Schrödinger equation of the whole atom in tRecX \(part K of the runs, step 2\)\: total M = 0, \|m\| \<= 1, l \<= 15 per electron with Lshape\[3;5\] \(one electron to l = 15 while the other has l \<= 2\), multipole order 4; radial 2 elements on \[0, 2\], 8 on \[2, BOX\] \(order 12\) and 20 exponential functions beyond, ECS angle 0\.15 from BOX = 60 bohr; the single\-particle spectrum projected above cutEnergy 100; RK4, the step 0\.0086 au; MPI build a987d7c on 16 ranks\. The atom's single\-ionisation yield as the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), 1 \- the norm on the unscaled region, in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\]\. Run k2\_5p69e14\_box60 at 5\.68981e14 W/cm2\: 6\.901e\-3, 5\.85 % below BOX 40; 145\.8 h \(its queued continuation then rewrote the run's expectation file without propagating; the values are from its own log\)\. Initial energy \-2\.9018540962 au\. The run without a field loses 3\.9e\-10 per au, 1e\-6 over the window\. The uncertainty is the largest change among the base's variations at 5\.69e14 W/cm2 \(step x 2/3 \-0\.014 %, l \<= 19 \+0\.006 %, \|m\| \<= 2 with Lshape\[4;6\] \-1\.7 % at its own ionisation energy, BOX 60 \-5\.85 %\)\: the box, not converged; BOX 80, about a week on 16 ranks, was not run \(the maintainer\)\. At 3\.68e14 the norm\-loss falls by 5 % after the pulse \(9\.08e\-4 at \+3T\), slow electrons near the scaling radius, as one electron in the same box\. The bound\-state populations and P\(ground\) were not obtainable at 3\.8 to 7\.3 million coefficients\.

travers\_2026\_trecx/twoelectron\_normloss\_gauss6\_390nm\_He\_m5
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "twoelectron_normloss_gauss6_390nm_He_m5",
     "material": "He",
     "file": "He/travers_2026_trecx__twoelectron_normloss_gauss6_390nm_He_m5.csv",
     "table": "data/external/trecx/he_two_electron/results_2e.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "5p69e14": 0.0585
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the norm-loss 1000 au after the pulse",
       "electrons": "two active electrons (the whole atom)",
       "basis": "|m| <= 2, l <= 15, Lshape[4;6], multipole 6, BOX 40",
       "method": "TDSE of two electrons, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9031255
     }
   }

Helium with both electrons active, the time\-dependent Schrödinger equation of the whole atom in tRecX \(part K of the runs, step 2\)\: total M = 0, \|m\| \<= 2, l \<= 15 per electron with Lshape\[4;6\] \(one electron to l = 15 while the other has l \<= 3\), multipole order 6; radial 2 elements on \[0, 2\], 8 on \[2, BOX\] \(order 12\) and 20 exponential functions beyond, ECS angle 0\.15 from BOX = 40 bohr; the single\-particle spectrum projected above cutEnergy 100; RK4, the step 0\.0086 au; MPI build a987d7c on 16 ranks\. The atom's single\-ionisation yield as the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), 1 \- the norm on the unscaled region, in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\]\. Run k2\_5p69e14\_m5ls4 at 5\.68981e14 W/cm2\: 7\.207e\-3, 1\.67 % below the base at an ionisation energy 0\.14 % higher; 155\.8 h\. Initial energy \-2\.9031255440 au\. The run without a field loses 3\.9e\-10 per au, 1e\-6 over the window\. The uncertainty is the largest change among the base's variations at 5\.69e14 W/cm2 \(step x 2/3 \-0\.014 %, l \<= 19 \+0\.006 %, \|m\| \<= 2 with Lshape\[4;6\] \-1\.7 % at its own ionisation energy, BOX 60 \-5\.85 %\)\: the box, not converged; BOX 80, about a week on 16 ranks, was not run \(the maintainer\)\. At 3\.68e14 the norm\-loss falls by 5 % after the pulse \(9\.08e\-4 at \+3T\), slow electrons near the scaling radius, as one electron in the same box\. The bound\-state populations and P\(ground\) were not obtainable at 3\.8 to 7\.3 million coefficients\.

travers\_2026\_trecx/hacc\_normloss\_gauss6\_390nm\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "hacc_normloss_gauss6_390nm_He",
     "material": "He",
     "file": "He/travers_2026_trecx__hacc_normloss_gauss6_390nm_He.csv",
     "table": "data/external/trecx/he_two_electron/results_hacc.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "5p69e14": 0.02082,
         "3p68e14": 0.02082
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the norm-loss 1000 au after the pulse",
       "electrons": "all (haCC: 1 ion channel, He19_Standard)",
       "data_set": "He19_Standard (AG-Scrinzi chemical, commit 88c17cfe12c150199bcfad92d6909267edebea21)",
       "ion_channels": 1,
       "l_max": 40,
       "method": "TDSE, tRecX haCC, irECS",
       "model_ionization_energy_au": 0.9018666
     }
   }

Helium's single\-ionisation yield from haCC \(tRecX's hybrid anti\-symmetrised coupled channels\) with the Scrinzi group's He19\_Standard data set \(chemical repository commit 88c17cfe\)\: one ion channel \(He\+ 1s\), lMax 40, rMax 40, cutEnergy 400 \(fixed by haCC\), 16 processes; the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\]\. Runs h2\_5p69e14\_r40 and h2\_3p68e14\_r40 \(rows labelled by the intensity\)\: 5\.595e\-3 and 6\.777e\-4; initial energy \-0\.90186662 au \(ionisation energy 0\.9018666\)\. The uncertainty is the largest change among rMax 60 \(\+0\.13 %\), lMax 50 \(\-0\.29 %\) and the He\+ n = 2 channels with mMax 1 \(\+2\.1 % against one channel at the same lMax 20; lMax 40 ran out of memory\)\. lMax 20 is 15 % high at 390 nm\. Warnings\: 'Large spectral constraint of 10 %'\. Against the two\-electron calculation in the same pulse \(twoelectron\_normloss\_gauss6\_390nm\_He\)\: 0\.76 to 0\.81, low \(TC\-1050\)\.

travers\_2026\_trecx/ionised\_ipmatched\_390nm\_base\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_390nm_base_He",
     "material": "He",
     "file": "He/travers_2026_trecx__ionised_ipmatched_390nm_base_He.csv",
     "table": "data/external/trecx/he_two_electron/results_sae_base.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01686,
         "1": 0.01686
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the ionised fraction, 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He, with the short-range terms scaled by beta: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "potential_scale": 0.9969113371,
       "method": "TDSE, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9018542
     }
   }

He 1s, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9969113371 \(zhao\_2016 Eq\. 3\) so that its ionisation energy is the two\-electron base basis's ionisation energy, 0\.9018542 au\: the ionised fraction, 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\], at 5\.68981e14 and 3\.684031e14 W/cm2 \(runs he\_00, he\_01, rows 0 and 1\); A2's he set\-up \(BOX 40, angle 0\.15, cutEnergy 100\)\. The uncertainty\: A2's convergence runs at 5\.69e14 \(applied to both rows\)\: \<= 1\.7 % \(the ECS angle, through n = 9 and 10\)\. The like\-for\-like reference of the two\-electron and haCC calculations \(TC\-1050\)\. The yield of ONE electron, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_390nm\_base\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_390nm_base_He",
     "material": "He",
     "file": "He/travers_2026_trecx__normloss_ipmatched_390nm_base_He.csv",
     "table": "data/external/trecx/he_two_electron/results_sae_base.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0495,
         "1": 0.0495
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He, with the short-range terms scaled by beta: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "potential_scale": 0.9969113371,
       "method": "TDSE, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9018542
     }
   }

He 1s, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9969113371 \(zhao\_2016 Eq\. 3\) so that its ionisation energy is the two\-electron base basis's ionisation energy, 0\.9018542 au\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), the two\-electron calculation's measure, in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\], at 5\.68981e14 and 3\.684031e14 W/cm2 \(runs he\_00, he\_01, rows 0 and 1\); A2's he set\-up \(BOX 40, angle 0\.15, cutEnergy 100\)\. The uncertainty\: A2's convergence runs at 5\.69e14 \(applied to both rows\)\: BOX 80 lowers the norm\-loss by 4\.95 %, the population beyond 40 bohr that is not ionised; every other variation \<= 0\.04 %\. The like\-for\-like reference of the two\-electron and haCC calculations \(TC\-1050\)\. The yield of ONE electron, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_390nm\_m5\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_390nm_m5_He",
     "material": "He",
     "file": "He/travers_2026_trecx__ionised_ipmatched_390nm_m5_He.csv",
     "table": "data/external/trecx/he_two_electron/results_sae_m5.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01686,
         "1": 0.01686
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the ionised fraction, 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He, with the short-range terms scaled by beta: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "potential_scale": 0.9989292176,
       "method": "TDSE, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9031255
     }
   }

He 1s, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9989292176 \(zhao\_2016 Eq\. 3\) so that its ionisation energy is the \|m\| \<= 2 two\-electron basis's, 0\.9031255 au\: the ionised fraction, 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\], at 5\.68981e14 and 3\.684031e14 W/cm2 \(runs he\_00, he\_01, rows 0 and 1\); A2's he set\-up \(BOX 40, angle 0\.15, cutEnergy 100\)\. The uncertainty\: A2's convergence runs at 5\.69e14 \(applied to both rows\)\: \<= 1\.7 % \(the ECS angle, through n = 9 and 10\); this set has none of its own and takes the base's\. The like\-for\-like reference of the two\-electron and haCC calculations \(TC\-1050\)\. The yield of ONE electron, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_390nm\_m5\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_390nm_m5_He",
     "material": "He",
     "file": "He/travers_2026_trecx__normloss_ipmatched_390nm_m5_He.csv",
     "table": "data/external/trecx/he_two_electron/results_sae_m5.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0495,
         "1": 0.0495
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He, with the short-range terms scaled by beta: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "potential_scale": 0.9989292176,
       "method": "TDSE, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9031255
     }
   }

He 1s, one active electron in Tong and Lin's potential with its short\-range terms scaled by beta = 0\.9989292176 \(zhao\_2016 Eq\. 3\) so that its ionisation energy is the \|m\| \<= 2 two\-electron basis's, 0\.9031255 au\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), the two\-electron calculation's measure, in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\], at 5\.68981e14 and 3\.684031e14 W/cm2 \(runs he\_00, he\_01, rows 0 and 1\); A2's he set\-up \(BOX 40, angle 0\.15, cutEnergy 100\)\. The uncertainty\: A2's convergence runs at 5\.69e14 \(applied to both rows\)\: BOX 80 lowers the norm\-loss by 4\.95 %, the population beyond 40 bohr that is not ionised; every other variation \<= 0\.04 %; this set has none of its own and takes the base's\. The like\-for\-like reference of the two\-electron and haCC calculations \(TC\-1050\)\. The yield of ONE electron, not of the atom\.

travers\_2026\_trecx/ionised\_ipmatched\_390nm\_tl\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ionised_ipmatched_390nm_tl_He",
     "material": "He",
     "file": "He/travers_2026_trecx__ionised_ipmatched_390nm_tl_He.csv",
     "table": "data/external/trecx/he_two_electron/results_sae_tl.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.01686,
         "1": 0.01686
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the ionised fraction, 1 - (ground + bound states up to n = 10) at the end of the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "method": "TDSE, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9038011
     }
   }

He 1s, one active electron in Tong and Lin's potential so that its ionisation energy is Tong and Lin's own, 0\.9038011 au \(close to the exact 0\.9037244\)\: the ionised fraction, 1 \- \(ground \+ bound states up to n = 10\) at the end of the pulse \(column ion\_proj\_le10\_pe\), in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\], at 5\.68981e14 and 3\.684031e14 W/cm2 \(runs he\_00, he\_01, rows 0 and 1\); A2's he set\-up \(BOX 40, angle 0\.15, cutEnergy 100\)\. The uncertainty\: A2's convergence runs at 5\.69e14 \(applied to both rows\)\: \<= 1\.7 % \(the ECS angle, through n = 9 and 10\); this set has none of its own and takes the base's\. The like\-for\-like reference of the two\-electron and haCC calculations \(TC\-1050\)\. The yield of ONE electron, not of the atom\.

travers\_2026\_trecx/normloss\_ipmatched\_390nm\_tl\_He
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "normloss_ipmatched_390nm_tl_He",
     "material": "He",
     "file": "He/travers_2026_trecx__normloss_ipmatched_390nm_tl_He.csv",
     "table": "data/external/trecx/he_two_electron/results_sae_tl.csv",
     "quantity": "ionization_yield",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "0": 0.0495,
         "1": 0.0495
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 390,
       "pulse_fs": 6,
       "pulse_fs_definition": "full width at half maximum of the intensity envelope (the square of the envelope of the vector potential)",
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "vector potential",
       "cep": 0,
       "cep_definition": "A(t) = A0 exp(-2 ln 2 t^2/T^2) sin(omega t): A2's pulse at 390 nm (omega 0.1168291 au, 4.61 cycles in the full width at half maximum), from a file, then 1000 au without field",
       "measure": "the norm-loss 1000 au after the pulse",
       "orbital": "1s",
       "m": 0,
       "electrons": "one active electron",
       "potential": "Tong and Lin 2005, Table 1, He: V = -(1 + 1.231 exp(-0.662 r) - 1.325 r exp(-1.236 r) - 0.231 exp(-0.480 r))/r",
       "method": "TDSE, tRecX, velocity gauge, irECS",
       "model_ionization_energy_au": 0.9038011
     }
   }

He 1s, one active electron in Tong and Lin's potential so that its ionisation energy is Tong and Lin's own, 0\.9038011 au \(close to the exact 0\.9037244\)\: the norm\-loss 1000 au after the pulse \(column norm\_loss\_end\), the two\-electron calculation's measure, in A2's 6 fs Gaussian on the vector potential at 390 nm \(4\.61 cycles in the full width at half maximum of the intensity, carrier\-envelope phase 0\), from a file, window \[\-3T, \+3T \+ 1000 au\], at 5\.68981e14 and 3\.684031e14 W/cm2 \(runs he\_00, he\_01, rows 0 and 1\); A2's he set\-up \(BOX 40, angle 0\.15, cutEnergy 100\)\. The uncertainty\: A2's convergence runs at 5\.69e14 \(applied to both rows\)\: BOX 80 lowers the norm\-loss by 4\.95 %, the population beyond 40 bohr that is not ionised; every other variation \<= 0\.04 %; this set has none of its own and takes the base's\. The like\-for\-like reference of the two\-electron and haCC calculations \(TC\-1050\)\. The yield of ONE electron, not of the atom\.

travers\_2026\_trecx/ground\_survival\_rmtpulse\_m0\_Xe
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ground_survival_rmtpulse_m0_Xe",
     "material": "Xe",
     "file": "Xe/travers_2026_trecx__ground_survival_rmtpulse_m0_Xe.csv",
     "table": "data/external/trecx/xe_rmt/results.csv",
     "quantity": "ground_state_survival",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "1.1": 0.00169,
         "1.3": 0.00313,
         "1.5": 0.00596,
         "1.7": 0.00961,
         "1.9": 0.0175,
         "2.2": 0.00852,
         "2.5": 0.0173
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 759.4,
       "pulse_fs": 5.297,
       "pulse_fs_definition": "the full width at half maximum of the intensity, w sqrt(2 ln 2) with the field's 1/e half-width w = 186 au, as hartmann_2022",
       "pulse_cycles": 2.09,
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "electric field",
       "cep": 0,
       "cep_definition": "E(t) = E0 exp(-((t - 900)/186)^2) cos(0.06 (t - 900)), t in au, on [0, 3000] au, as A(t) = -int_0^t E dt' from a file (velocity gauge): hartmann_2022's field",
       "intensity_definition": "I = (E0 / 0.05336 au)^2 x 1e14 W/cm2, hartmann_2022's convention; 0.076 % above E0 = sqrt(I / 3.50945e16 W/cm2)",
       "read_at": "t = 3000 au, the end of hartmann_2022's runs (2100 au after the pulse's peak); equal at 1500 au to 1.1e-5",
       "measure": "the population of the field-free 5p state, |<5p, m | psi(t)>|^2 (OccDual), what irECS absorbed counting as gone",
       "orbital": "5p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table I (Tong and Lin's form): Z_c = 1, a_1 ... a_6 = 51.356, 2.112, -99.927, 3.737, 1.644, 0.431, the terms other than Z_c scaled by beta = 0.9997362280",
       "model_ionization_energy_au": 0.444,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Xe 5p, m = 0, one active electron in zhang\_2014 Table I \(Tong and Lin's form\) with part G's refined inner grid, Eta 30, BOX 80, irECS angle 0\.3, cutEnergy 100, fixStep 0\.00136 au, tRecX a987d7c \(OccDual\)\: the potential's short\-range terms scaled by beta = 0\.9997362280 so that the 5p is at \-0\.444000 au, RMT's ground state's energy \(hartmann\_2022's GS\_Energy\_desired\), at its seven intensities, 1\.1 to 2\.5e14 W/cm2\. The population of the field\-free 5p \(column P\_ground\_3000\) at 3000 au in hartmann\_2022's field \(the field RMT wrote\), the measure of hartmann\_2022's rmt\_ground\_survival\_Xe; runs xe\_m{m}\_I\<label\>{'\_unsc' if suffix else ''}\. Uncertainty\: the m = 0 convergence runs' change of 1 \- P at the nearer of 1\.5 and 2\.5e14 W/cm2 \(Eta 40, 50, radial elements, order, BOX 120, step x 2/3, ECS angle 0\.2, operator threshold, cutEnergy 150; at most 0\.43 %, cutEnergy\), carried to P as u \(1 \- P\)/P\. The other bound states \(n \<= 10\) hold 2 to 20 % of the depletion, most at the seven\-photon resonance at 1\.7e14 W/cm2\. The survival of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ground\_survival\_rmtpulse\_m1\_Xe
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ground_survival_rmtpulse_m1_Xe",
     "material": "Xe",
     "file": "Xe/travers_2026_trecx__ground_survival_rmtpulse_m1_Xe.csv",
     "table": "data/external/trecx/xe_rmt/results.csv",
     "quantity": "ground_state_survival",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "1.1": 8.88e-05,
         "1.3": 0.000167,
         "1.5": 0.000283,
         "1.7": 0.00045,
         "1.9": 0.000642,
         "2.2": 0.000261,
         "2.5": 0.000396
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 759.4,
       "pulse_fs": 5.297,
       "pulse_fs_definition": "the full width at half maximum of the intensity, w sqrt(2 ln 2) with the field's 1/e half-width w = 186 au, as hartmann_2022",
       "pulse_cycles": 2.09,
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "electric field",
       "cep": 0,
       "cep_definition": "E(t) = E0 exp(-((t - 900)/186)^2) cos(0.06 (t - 900)), t in au, on [0, 3000] au, as A(t) = -int_0^t E dt' from a file (velocity gauge): hartmann_2022's field",
       "intensity_definition": "I = (E0 / 0.05336 au)^2 x 1e14 W/cm2, hartmann_2022's convention; 0.076 % above E0 = sqrt(I / 3.50945e16 W/cm2)",
       "read_at": "t = 3000 au, the end of hartmann_2022's runs (2100 au after the pulse's peak); equal at 1500 au to 1.1e-5",
       "measure": "the population of the field-free 5p state, |<5p, m | psi(t)>|^2 (OccDual), what irECS absorbed counting as gone",
       "orbital": "5p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table I (Tong and Lin's form): Z_c = 1, a_1 ... a_6 = 51.356, 2.112, -99.927, 3.737, 1.644, 0.431, the terms other than Z_c scaled by beta = 0.9997362280",
       "model_ionization_energy_au": 0.444,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Xe 5p, m = 1, one active electron in zhang\_2014 Table I \(Tong and Lin's form\) with part G's refined inner grid, Eta 30, BOX 80, irECS angle 0\.3, cutEnergy 100, fixStep 0\.00136 au, tRecX a987d7c \(OccDual\)\: the potential's short\-range terms scaled by beta = 0\.9997362280 so that the 5p is at \-0\.444000 au, RMT's ground state's energy \(hartmann\_2022's GS\_Energy\_desired\), at its seven intensities, 1\.1 to 2\.5e14 W/cm2\. The population of the field\-free 5p \(column P\_ground\_3000\) at 3000 au in hartmann\_2022's field \(the field RMT wrote\), the measure of hartmann\_2022's rmt\_ground\_survival\_Xe; runs xe\_m{m}\_I\<label\>{'\_unsc' if suffix else ''}\. Uncertainty\: the m = 0 convergence runs' change of 1 \- P \(no m = 1 runs of their own\) at the nearer of 1\.5 and 2\.5e14 W/cm2 \(Eta 40, 50, radial elements, order, BOX 120, step x 2/3, ECS angle 0\.2, operator threshold, cutEnergy 150; at most 0\.43 %, cutEnergy\), carried to P as u \(1 \- P\)/P\. The other bound states \(n \<= 10\) hold 2 to 20 % of the depletion, most at the seven\-photon resonance at 1\.7e14 W/cm2\. The survival of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ground\_survival\_rmtpulse\_m0\_unscaled\_Xe
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ground_survival_rmtpulse_m0_unscaled_Xe",
     "material": "Xe",
     "file": "Xe/travers_2026_trecx__ground_survival_rmtpulse_m0_unscaled_Xe.csv",
     "table": "data/external/trecx/xe_rmt/results.csv",
     "quantity": "ground_state_survival",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "1.1": 0.00165,
         "1.5": 0.00576,
         "2.5": 0.0166
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 759.4,
       "pulse_fs": 5.297,
       "pulse_fs_definition": "the full width at half maximum of the intensity, w sqrt(2 ln 2) with the field's 1/e half-width w = 186 au, as hartmann_2022",
       "pulse_cycles": 2.09,
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "electric field",
       "cep": 0,
       "cep_definition": "E(t) = E0 exp(-((t - 900)/186)^2) cos(0.06 (t - 900)), t in au, on [0, 3000] au, as A(t) = -int_0^t E dt' from a file (velocity gauge): hartmann_2022's field",
       "intensity_definition": "I = (E0 / 0.05336 au)^2 x 1e14 W/cm2, hartmann_2022's convention; 0.076 % above E0 = sqrt(I / 3.50945e16 W/cm2)",
       "read_at": "t = 3000 au, the end of hartmann_2022's runs (2100 au after the pulse's peak); equal at 1500 au to 1.1e-5",
       "measure": "the population of the field-free 5p state, |<5p, m | psi(t)>|^2 (OccDual), what irECS absorbed counting as gone",
       "orbital": "5p",
       "m": 0,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table I (Tong and Lin's form): Z_c = 1, a_1 ... a_6 = 51.356, 2.112, -99.927, 3.737, 1.644, 0.431 (unscaled)",
       "model_ionization_energy_au": 0.4448129,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Xe 5p, m = 0, one active electron in zhang\_2014 Table I \(Tong and Lin's form\) with part G's refined inner grid, Eta 30, BOX 80, irECS angle 0\.3, cutEnergy 100, fixStep 0\.00136 au, tRecX a987d7c \(OccDual\)\: part G's own potential \(5p at \-0\.4448129 au\), at 1\.1, 1\.5 and 2\.5e14 W/cm2, to show the effect of the 0\.18 % in I\_p\. The population of the field\-free 5p \(column P\_ground\_3000\) at 3000 au in hartmann\_2022's field \(the field RMT wrote\), the measure of hartmann\_2022's rmt\_ground\_survival\_Xe; runs xe\_m{m}\_I\<label\>{'\_unsc' if suffix else ''}\. Uncertainty\: the m = 0 convergence runs' change of 1 \- P at the nearer of 1\.5 and 2\.5e14 W/cm2 \(Eta 40, 50, radial elements, order, BOX 120, step x 2/3, ECS angle 0\.2, operator threshold, cutEnergy 150; at most 0\.43 %, cutEnergy\), carried to P as u \(1 \- P\)/P\. The other bound states \(n \<= 10\) hold 2 to 20 % of the depletion, most at the seven\-photon resonance at 1\.7e14 W/cm2\. The survival of ONE electron in this orbital, not of the atom\.

travers\_2026\_trecx/ground\_survival\_rmtpulse\_m1\_unscaled\_Xe
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ground_survival_rmtpulse_m1_unscaled_Xe",
     "material": "Xe",
     "file": "Xe/travers_2026_trecx__ground_survival_rmtpulse_m1_unscaled_Xe.csv",
     "table": "data/external/trecx/xe_rmt/results.csv",
     "quantity": "ground_state_survival",
     "unit": "1",
     "abscissa": "intensity",
     "abscissa_unit": "W/cm2",
     "use": "check",
     "uncertainty": {
       "relative_rows": {
         "1.1": 8.63e-05,
         "1.5": 0.000276,
         "2.5": 0.000388
       },
       "level": "bound"
     },
     "parameters": {
       "wavelength_nm": 759.4,
       "pulse_fs": 5.297,
       "pulse_fs_definition": "the full width at half maximum of the intensity, w sqrt(2 ln 2) with the field's 1/e half-width w = 186 au, as hartmann_2022",
       "pulse_cycles": 2.09,
       "polarization": "linear",
       "pulse_envelope": "gaussian",
       "envelope_of": "electric field",
       "cep": 0,
       "cep_definition": "E(t) = E0 exp(-((t - 900)/186)^2) cos(0.06 (t - 900)), t in au, on [0, 3000] au, as A(t) = -int_0^t E dt' from a file (velocity gauge): hartmann_2022's field",
       "intensity_definition": "I = (E0 / 0.05336 au)^2 x 1e14 W/cm2, hartmann_2022's convention; 0.076 % above E0 = sqrt(I / 3.50945e16 W/cm2)",
       "read_at": "t = 3000 au, the end of hartmann_2022's runs (2100 au after the pulse's peak); equal at 1500 au to 1.1e-5",
       "measure": "the population of the field-free 5p state, |<5p, m | psi(t)>|^2 (OccDual), what irECS absorbed counting as gone",
       "orbital": "5p",
       "m": 1,
       "electrons": "one active electron",
       "potential": "zhang_2014 Table I (Tong and Lin's form): Z_c = 1, a_1 ... a_6 = 51.356, 2.112, -99.927, 3.737, 1.644, 0.431 (unscaled)",
       "model_ionization_energy_au": 0.4448129,
       "method": "TDSE, tRecX, velocity gauge, irECS"
     }
   }

Xe 5p, m = 1, one active electron in zhang\_2014 Table I \(Tong and Lin's form\) with part G's refined inner grid, Eta 30, BOX 80, irECS angle 0\.3, cutEnergy 100, fixStep 0\.00136 au, tRecX a987d7c \(OccDual\)\: part G's own potential \(5p at \-0\.4448129 au\), at 1\.1, 1\.5 and 2\.5e14 W/cm2, to show the effect of the 0\.18 % in I\_p\. The population of the field\-free 5p \(column P\_ground\_3000\) at 3000 au in hartmann\_2022's field \(the field RMT wrote\), the measure of hartmann\_2022's rmt\_ground\_survival\_Xe; runs xe\_m{m}\_I\<label\>{'\_unsc' if suffix else ''}\. Uncertainty\: the m = 0 convergence runs' change of 1 \- P \(no m = 1 runs of their own\) at the nearer of 1\.5 and 2\.5e14 W/cm2 \(Eta 40, 50, radial elements, order, BOX 120, step x 2/3, ECS angle 0\.2, operator threshold, cutEnergy 150; at most 0\.43 %, cutEnergy\), carried to P as u \(1 \- P\)/P\. The other bound states \(n \<= 10\) hold 2 to 20 % of the depletion, most at the seven\-photon resonance at 1\.7e14 W/cm2\. The survival of ONE electron in this orbital, not of the atom\.

Formulas
--------

No formulas are recorded.

Corrections
-----------

No dataset errata are recorded in this source record.

Formula corrections, where recorded, appear with their formulas above. Curation notes may also discuss corrections or unresolved interpretation. Consult the :doc:`review register </register>` for the checks and decisions.