travers_2026_pyroraptor ======================= J\. C\. Travers, TDSE calculations of helium's strong\-field ionisation with pyroraptor\: both electrons active, haCC and one active electron, unpublished \(2026\) `Source record `__ · :doc:`Catalogue ` · :doc:`Review register ` No DOI is recorded. **Source kind:** theory **Recorded technique:** Numerical solution of the time\-dependent Schrodinger equation of helium with J\. C\. Travers's code pyroraptor, three ways\. \(1\) Both electrons active\: coupled angular channels \(l1, l2, L\) with total M = 0 and L \<= 17, admitted when one electron has l \<= 2 \('inner = 2', 'square = 2'\), the other capped at l \<= 15; multipole order 4 \(the space of travers\_2026\_trecx's \|m\| \<= 1, Lshape\[3;5\] basis lies between inner = 1 and inner = 2\); finite elements of 4\.75 bohr beyond 2 bohr \(order 12\) to R0 = 40, 59, 78 or 97 bohr, an exterior element of order 20, exterior complex scaling \(angle 0\.15\) from R0, the one\-electron spectrum cut at 100 au, RK4 with the step 0\.0088 au; the initial state's energy \-2\.902737 au\. \(2\) haCC, the hybrid anti\-symmetrised coupled channels method \(Majety, Zielinski and Scrinzi, New J\. Phys\. 17, 063002 \(2015\)\)\: the neutral's closed\-box configuration\-interaction states \('neutral squares', up to 6\) and frozen He\+ ion states \(1s, 'haCC\(1\)', or the five n \<= 2 states, 'haCC\(5\)'\) times one free electron in finite elements to R0 = 40 bohr \(390 nm\) or 80 to 140 bohr \(800 nm\), lMax 40 to 70, mixed gauge \(length gauge inside the gauge radius 20 bohr, velocity gauge outside\), exterior complex scaling; ground energy \-2\.9036457 au\. \(3\) One active electron in Tong and Lin's helium potential \(tong\_2005 Table 1\), m = 0, ionisation energy 0\.9038011 au\. Populations are read by projecting on the field\-free bound states with the ECS transpose \(dual\) pairing, the principal quantum number of a state n = round\(1/sqrt\(\-2E\)\) with E its energy above the He\+\(1s\) threshold\. **Materials in structured entries:** He **Dataset quantities:** ionization\_yield **Contents:** 9 datasets; 0 formulas. Curation notes -------------- UNPUBLISHED CALCULATIONS OF J\. C\. TRAVERS, TIER 3\: validators only \(use = 'check'\), below published calculations and measurements\. Curated 2026\-10\-16 \(TC\-1092\)\. The run records and the tables made from them are archived in data/external/pyroraptor \(PROVENANCE\.md there\: pyroraptor's repository at f9b35142, the records' sha256, the converter\); the data files are written from the tables by tools/extract/travers\_2026\_pyroraptor\.py\. AT 390 NM, in the pulse of travers\_2026\_trecx's two\-electron helium \(A2's 6 fs Gaussian on the vector potential at 390 nm, 3\.684031e14 and 5\.68981e14 W/cm2, then 1000 au without field\)\: the population above the bound shells n \<= 4 \(above4\: ionisation plus excitation to n \>= 5\) and n \<= 5 \(above5\) of each calculation, 1000 au after the pulse\. Unlike the norm\-loss \(travers\_2026\_trecx's twoelectron\_normloss\_\*\), these are converged in the box\: the two\-electron above4 changes by 0\.03 % \(3\.684e14\) and 0\.01 % from R0 = 78 to 97 bohr, while its plain 1 \- P\(bound\) falls by 3\.6 % as each larger box binds another Rydberg shell; haCC's above4 and above5 agree to 0\.01 % at R0 = 40, 60 and 80 bohr\. At 3\.684e14 W/cm2 a resonance fills 1s4f \(2\.9e\-4 at R0 = 78 bohr, about a third of above4\), which above4 does not count\. The two\-electron values are at inner = 2\: an inner\-arm ladder of the absorbed norm\-loss at 3\.684e14 W/cm2 \(inner 2 \-\> 3 \-\> 4\: \-0\.97 % and \-0\.67 %, extrapolated geometrically\) puts the angular limit 3\.1 % below them, which is their uncertainty \(an excess, not a spread\); the ladder was not run at 5\.69e14, nor on above4\. above5 of the two electrons at R0 = 97 still moves by 0\.3 % \(3\.684e14\) from R0 = 78\. AT 800 NM, in Sato et al\.'s six\-cycle sin^2 pulse \(sato\_2016, Eq\. 27; 4, 8 and 14e14 W/cm2\)\: haCC's 1 \- P\(both electrons inside 20 bohr\) at the end of the pulse, Sato et al\.'s measure, against which sato\_2016's fig6\_casscf\_He\_800nm \(MCTDHF\) is compared\. The runs' reports of 10 and 14 October called haCC's above5 'ionisation plus n \>= 5' and compared it with the two\-electron and one\-electron above4; pyroraptor corrected this on 17 October 2026 \(merged at 295a255b\), withdrawing the haCC deficit at 390 nm it had reported\. Here each measure is compared with its own \(TC\-1092\)\. Datasets -------- travers\_2026\_pyroraptor/twoelectron\_above4\_gauss6\_390nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "twoelectron_above4_gauss6_390nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__twoelectron_above4_gauss6_390nm_He.csv", "table": "data/external/pyroraptor/he_two_electron_390nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "3p68e14": 0.0317, "5p69e14": 0.0315 }, "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), then 1000 au without field; max |A| 0.8734300 and 1.0854638 au", "measure": "N0 - P(ground) - P(bound states with n <= 4) 1000 au after the pulse: ionisation plus excitation to n >= 5", "electrons": "two active electrons (the whole atom)", "basis": "total M = 0, |m| <= 2, inner = 2, l <= 15, multipole 4, R0 = 97 bohr", "method": "TDSE of two electrons, pyroraptor, ECS", "model_ionization_energy_au": 0.902737 } } Helium with both electrons active \(inner = 2, R0 = 97 bohr\)\: N0 \- P\(ground\) \- P\(bound, n \<= 4\) 1000 au after the pulse \(t = 1744\.14 au; records k2b\-3p68e14\-box97 and k2b\-5p69e14\-box97\)\: ionisation plus excitation to n \>= 5, 8\.464e\-4 and 7\.244e\-3\. Uncertainty\: the angular excess 3\.1 % \(the values lie above the angular limit by about that\) plus the change from R0 = 78 bohr\. Set\-up in the record's notes\. travers\_2026\_pyroraptor/twoelectron\_above5\_gauss6\_390nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "twoelectron_above5_gauss6_390nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__twoelectron_above5_gauss6_390nm_He.csv", "table": "data/external/pyroraptor/he_two_electron_390nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "3p68e14": 0.0345, "5p69e14": 0.032 }, "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), then 1000 au without field; max |A| 0.8734300 and 1.0854638 au", "measure": "N0 - P(ground) - P(bound states with n <= 5) 1000 au after the pulse: ionisation plus excitation to n >= 6", "electrons": "two active electrons (the whole atom)", "basis": "total M = 0, |m| <= 2, inner = 2, l <= 15, multipole 4, R0 = 97 bohr", "method": "TDSE of two electrons, pyroraptor, ECS", "model_ionization_energy_au": 0.902737 } } As twoelectron\_above4\_gauss6\_390nm\_He, cut above n \<= 5\: ionisation plus excitation to n \>= 6, 7\.396e\-4 and 6\.742e\-3\. Uncertainty\: the angular excess 3\.1 % plus the change from R0 = 78 bohr \(0\.3 % at 3\.684e14\)\. travers\_2026\_pyroraptor/hacc1\_above4\_gauss6\_390nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "hacc1_above4_gauss6_390nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__hacc1_above4_gauss6_390nm_He.csv", "table": "data/external/pyroraptor/he_hacc_390nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "3p68e14": 0.00285, "5p69e14": 0.00285 }, "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), then 1000 au without field; max |A| 0.8734300 and 1.0854638 au", "measure": "N0 - P(ground) - P(bound states with n <= 4) 1000 au after the pulse: ionisation plus excitation to n >= 5", "electrons": "all, with the ion frozen in its 1s state (one ion channel)", "method": "haCC(1), pyroraptor, mixed gauge, ECS", "model_ionization_energy_au": 0.9036457 } } haCC with the He\+ 1s channel, neutral square 6, R0 = 40 bohr, lMax 40, order 10, cut 200 au, gauge radius 20 bohr, step 0\.0088 au \(records l\_sq6, l\_hi\_sq6\)\: N0 \- P\(ground\) \- P\(bound, n \<= 4\) 1000 au after the pulse, 8\.092e\-4 and 6\.985e\-3\. Uncertainty\: the largest change among the one\-channel variations at 3\.684e14 W/cm2 \(step, order, cut, ECS angle, lMax, rMax 60 and 80, gauge radius\) and the last step of the square ladder \(5 \-\> 6\)\. travers\_2026\_pyroraptor/hacc5\_above4\_gauss6\_390nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "hacc5_above4_gauss6_390nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__hacc5_above4_gauss6_390nm_He.csv", "table": "data/external/pyroraptor/he_hacc_390nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "3p68e14": 0.00285, "5p69e14": 0.00285 }, "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), then 1000 au without field; max |A| 0.8734300 and 1.0854638 au", "measure": "N0 - P(ground) - P(bound states with n <= 4) 1000 au after the pulse: ionisation plus excitation to n >= 5", "electrons": "all, with the ion frozen in its five n <= 2 states (five ion channels)", "method": "haCC(5), pyroraptor, mixed gauge, ECS", "model_ionization_energy_au": 0.9036457 } } As hacc1\_above4\_gauss6\_390nm\_He with the five He\+ n \<= 2 channels \(records h5\_sq6, h5\_sq6\_hi\)\: 8\.277e\-4 and 7\.150e\-3\. Uncertainty\: haCC\(1\)'s\. travers\_2026\_pyroraptor/hacc1\_above5\_gauss6\_390nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "hacc1_above5_gauss6_390nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__hacc1_above5_gauss6_390nm_He.csv", "table": "data/external/pyroraptor/he_hacc_390nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "3p68e14": 0.00531, "5p69e14": 0.00531 }, "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), then 1000 au without field; max |A| 0.8734300 and 1.0854638 au", "measure": "N0 - P(ground) - P(bound states with n <= 5) 1000 au after the pulse: ionisation plus excitation to n >= 6", "electrons": "all, with the ion frozen in its 1s state (one ion channel)", "method": "haCC(1), pyroraptor, mixed gauge, ECS", "model_ionization_energy_au": 0.9036457 } } As hacc1\_above4\_gauss6\_390nm\_He, cut above n \<= 5\: ionisation plus excitation to n \>= 6, 7\.113e\-4 and 6\.513e\-3 \(the values the runs' reports called 'ionisation plus n \>= 5' until pyroraptor's correction of 17 October 2026\)\. travers\_2026\_pyroraptor/hacc5\_above5\_gauss6\_390nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "hacc5_above5_gauss6_390nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__hacc5_above5_gauss6_390nm_He.csv", "table": "data/external/pyroraptor/he_hacc_390nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "3p68e14": 0.00531, "5p69e14": 0.00531 }, "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), then 1000 au without field; max |A| 0.8734300 and 1.0854638 au", "measure": "N0 - P(ground) - P(bound states with n <= 5) 1000 au after the pulse: ionisation plus excitation to n >= 6", "electrons": "all, with the ion frozen in its five n <= 2 states (five ion channels)", "method": "haCC(5), pyroraptor, mixed gauge, ECS", "model_ionization_energy_au": 0.9036457 } } As hacc5\_above4\_gauss6\_390nm\_He, cut above n \<= 5\: 7\.242e\-4 and 6\.672e\-3\. Uncertainty\: haCC\(1\)'s\. travers\_2026\_pyroraptor/sae\_above4\_gauss6\_390nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "sae_above4_gauss6_390nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__sae_above4_gauss6_390nm_He.csv", "table": "data/external/pyroraptor/he_sae_390nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "3p68e14": 0.00011, "5p69e14": 6e-05 }, "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), then 1000 au without field; max |A| 0.8734300 and 1.0854638 au", "measure": "N0 - P(ground) - P(bound states with n <= 4) 1000 au after the pulse: ionisation plus excitation to n >= 5", "orbital": "1s", "m": 0, "electrons": "one active electron", "potential": "Tong and Lin 2005, Table 1, He", "method": "TDSE of one electron, pyroraptor, ECS", "model_ionization_energy_au": 0.9038011 } } One electron \(m = 0\) in Tong and Lin's helium potential, R0 = 75\.7 bohr \(13 outer elements\), lMax 49, order 12, cut 400 au, step 1/192 au \(record o13\)\: N0 \- P\(1s\) \- P\(bound, n \<= 4\) 1000 au after the pulse, 5\.119e\-4 and 4\.504e\-3\. Uncertainty\: the largest change among the four discretisations \(9 and 18 outer elements, lMax 69\)\. travers\_2026\_pyroraptor/hacc1\_outside20\_sin2\_800nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "hacc1_outside20_sin2_800nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__hacc1_outside20_sin2_800nm_He.csv", "table": "data/external/pyroraptor/he_hacc_800nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "I4e14": 0.0112, "I8e14": 0.0102, "I14e14": 0.0112 }, "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 (sato_2016 Eq. 27)", "intensity_definition": "I = E0^2 in atomic units (3.50945e16 W/cm2 per au^2), as sato_2016", "measure": "1 - P(both electrons inside r = 20 bohr) at the end of the pulse", "electrons": "all, with the ion frozen in its 1s state (one ion channel)", "method": "haCC(1), pyroraptor, mixed gauge, ECS", "model_ionization_energy_au": 0.9036457 } } haCC with the He\+ 1s channel, neutral square 6 \(records h1/\\-sq6\), in Sato et al\.'s pulse\: 1 \- P\(both electrons inside 20 bohr\) at the end of the pulse, 2\.961e\-4, 1\.5445e\-2 and 0\.1536\. Uncertainty\: per intensity, the largest change among the variations of the square\-3 base \(step, order, R0, lMax, cut, gauge radius\) and the square step 3 \-\> 6\. travers\_2026\_pyroraptor/hacc5\_outside20\_sin2\_800nm\_He ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "hacc5_outside20_sin2_800nm_He", "material": "He", "file": "He/travers_2026_pyroraptor__hacc5_outside20_sin2_800nm_He.csv", "table": "data/external/pyroraptor/he_hacc_800nm.csv", "quantity": "ionization_yield", "unit": "1", "abscissa": "intensity", "abscissa_unit": "W/cm2", "use": "check", "uncertainty": { "relative_rows": { "I4e14": 0.0164, "I8e14": 0.0155, "I14e14": 0.0164 }, "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 (sato_2016 Eq. 27)", "intensity_definition": "I = E0^2 in atomic units (3.50945e16 W/cm2 per au^2), as sato_2016", "measure": "1 - P(both electrons inside r = 20 bohr) at the end of the pulse", "electrons": "all, with the ion frozen in its five n <= 2 states (five ion channels)", "method": "haCC(5), pyroraptor, mixed gauge, ECS", "model_ionization_energy_au": 0.9036457 } } As hacc1\_outside20\_sin2\_800nm\_He with the five He\+ n \<= 2 channels, at haCC\(1\)'s numerics \(records h5/\\-best\)\: 3\.023e\-4, 1\.5825e\-2 and 0\.1578\. Uncertainty\: haCC\(1\)'s plus haCC\(5\)'s own lMax step at 8e14 \(\+0\.52 %\)\. 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 ` for the checks and decisions.