holsch_2019
===========

N\. Hölsch, M\. Beyer, E\. J\. Salumbides, K\. S\. E\. Eikema, W\. Ubachs, C\. Jungen and F\. Merkt, "Benchmarking Theory with an Improved Measurement of the Ionization and Dissociation Energies of H2", Phys\. Rev\. Lett\. 122, 103002 \(2019\)

`Source record <https://github.com/LupoLab/optmat/blob/main/src/optmat/data/sources/holsch_2019.toml>`__ · :doc:`Catalogue </the-data/sources>` · :doc:`Review register </register>`

DOI: `10\.1103/PhysRevLett\.122\.103002 <https://doi.org/10.1103/PhysRevLett.122.103002>`__

**Source kind:** measurement

**Recorded technique:** The ionisation energy of ortho\-H2 as a sum of three intervals \(Table II\)\: \(1\) X \(v = 0, N = 1\) \-\> EF \(0, 1\), by Ramsey\-comb spectroscopy \(Altmann et al\., their Ref\. 36\); \(2\) EF \(0, 1\) \-\> 54p1\_1 \(v\+ = 0, S = 0\) Rydberg state, measured here with a single\-mode cw UV laser \(frequency\-doubled Ti\:Sa, comb\-calibrated\) in a skimmed, pulsed, cryogenically cooled \(80 K valve\) H2 beam, EF \(0, 1\) prepared by VUV excitation of B' \(0, 0\) and spontaneous emission, Rydberg states detected by pulsed\-field ionisation, first\-order Doppler shift cancelled with a retroreflected beam; \(3\) the binding energy of 54p1\_1 from millimetre\-wave spectroscopy and multichannel quantum\-defect theory \(Ref\. 35\) \(pp\. 1\-4\)\.

**Materials in structured entries:** H2

**Dataset quantities:** ionization\_energy

**Contents:** 1 dataset; 0 formulas.

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

PRL pages 103002\-1 to \-5 \(PDF pages 1\-6; pages cited are PDF pages\)\. Identity checked on the first page\. H2 only\.

EXTRACTED\: Table II \(p\. 4, tbl\_7f08590ec4cc, image checked\) row \(4\), E\_I^ortho\(H2\) = 124 357\.238 003\(11\) cm^\-1 '\(340 kHz\)', also in the text \(p\. 4\)\. It is the interval X\+ \(v\+ = 0, N\+ = 1, hyperfine centre\) \- X \(v = 0, N = 1\)\: the ionisation energy of ORTHO\-H2, from the neutral's lowest ortho level \(N = 1\) to the cation's N\+ = 1 level\. It is not the conventional ionisation energy from X \(v = 0, N = 0\) to X\+ \(v\+ = 0, N\+ = 0\), which would need the X \(0,1\) \- X \(0,0\) interval; the paper does not give that interval, so no para value is derived here\. The relative accuracy is 9\.1e\-11 \(p\. 5\)\. In eV \(not printed; hc = 1\.239841984e\-4 eV cm\)\: 15\.4183325 eV\.

UNCERTAINTY\: the final uncertainty of interval \(2\) combines the statistical \(1 sigma, 'standard deviation of the mean', Fig\. 3\) and systematic contributions of Table I in quadrature \(p\. 4\: 'Adding the corrections listed in Table I and combining all uncertainties in quadrature yields the value of 755 776 720\.21\(30\) MHz'\); the total for E\_I^ortho is 340 kHz = 1\.1e\-5 cm^\-1\. The confidence level of the total is not named\.

ERROR BUDGET \(Table I, p\. 4, tbl\_f99eeb49535c; the 54p1\_1 \<\- EF \(0, 1\) frequency\)\: measured 755 776 720\.84\(18\) MHz; uncertainties dc Stark 10 kHz, ac Stark 5 kHz, Zeeman 10 kHz, pressure 1 kHz, first\-order Doppler 200 kHz, second\-order Doppler 1 kHz \(correction \+8 kHz\), line\-shape model 100 kHz, hfs of EF \(0, 1\) 100 kHz \(estimated by MQDT\), photon\-recoil shift correction \-634 kHz; systematic total 250 kHz; final 755 776 720\.21\(18\)stat\(25\)sys MHz = 25 209\.997 785\(10\) cm^\-1\. The main uncertainties are the unresolved hfs of EF \(0, 1\), the residual Doppler shift and the line\-shape model \(p\. 5\)\.

TABLE II, the other intervals \(cm^\-1, notes only\)\: \(1\) EF \(0, 1\) \- X \(0, 1\) 99 109\.731 204 9\(24\) \(73 kHz\) \[36\]; \(2\) 54p1\_1 \(v\+ = 0, S = 0, centre\) \- EF \(0, 1\) 25 209\.997 785\(10\) \(300 kHz\); \(3\) X\+ \(0, 1, centre\) \- 54p1\_1 37\.509 013\(5\) \(150 kHz\) \[35\]; \(5\) D0^\(N\+=0\)\(H2\+\) 21 379\.350 249 6\(6\) \(18 kHz\) \[32\]; \(6\) X\+ \(0, 1, centre\) \- X\+ \(0, 0\) 58\.233 675 097 4\(8\) \(25 Hz\) \[33\]; \(7\) D0^\(N\+=1\)\(H2\+\) = \(5\) \- \(6\) 21 321\.116 574 5\(6\); \(8\) E\_I\(H\) 109 678\.771 743 07\(10\) \(3 kHz\) \[31\]; \(9\) D0^\(N=1\)\(H2\) = \(4\) \+ \(7\) \- \(8\) = 35 999\.582 834\(11\) cm^\-1 \(340 kHz\)\. Footnote a\: the first two columns of Table II of Ref\. 36 contain errors; the 54p1\_1 binding energy and the para dissociation energy there should read 37\.509 013\(10\) and 36 118\.069 62\(37\) cm^\-1\.

DISSOCIATION ENERGY \(notes; no quantity\)\: D0^\(N=1\)\(H2\) = 35 999\.582 834\(11\) cm^\-1 \(abstract, p\. 4\), against the theory of Puchalski et al\. \(PRL 122, 103003 \(2019\)\) 35 999\.582 820\(26\) cm^\-1 and the earlier measurement via GK \(0, 1\) 35 999\.582 894\(25\) cm^\-1 \[20\], from which it differs by about 2 sigma \(p\. 5\)\. The 2009 values of D0^\(N=0\)\(H2\)\: experiment 36 118\.0696\(4\) \(their Ref\. 19, liu\_2009\: 36 118\.069 62\(37\)\), theory 36 118\.0695\(10\) cm^\-1 \(p\. 1\)\. This paper's accuracy is '30\-fold improved' over liu\_2009's \(p\. 2\)\.

**Recorded bibliographic identity status:** VALIDATED. This concerns identification of the source; it does not establish the scientific correctness of its contents.

Datasets
--------

holsch\_2019/ie\_ortho\_H2
~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "ie_ortho_H2",
     "material": "H2",
     "file": "H2/holsch_2019__ie_ortho_H2.csv",
     "table": "tbl_7f08590ec4cc",
     "quantity": "ionization_energy",
     "unit": "cm-1",
     "abscissa": "label",
     "use": "primary",
     "parameters": {
       "kind": "adiabatic",
       "final_state": "X+ 2Sigma_g+ (v+ = 0, N+ = 1), centre of the hyperfine structure",
       "initial_state": "X 1Sigma_g+ (v = 0, N = 1), ortho-H2"
     },
     "uncertainty": {
       "column": true,
       "level": "not stated"
     }
   }

Table II row \(4\), p\. 4\: E\_I^ortho\(H2\) = \(1\) \+ \(2\) \+ \(3\) = 124 357\.238 003\(11\) cm^\-1 \(340 kHz\)\: X\+ \(v\+ = 0, N\+ = 1, hyperfine centre\) \- X \(v = 0, N = 1\)\. The ORTHO ionisation energy, from N = 1 to N\+ = 1\: 60\.253 cm^\-1 below the N = 0 \-\> N\+ = 0 value 124 417\.491 13\(37\) cm^\-1 of Liu et al\. 2009 \(liu\_2009/ie\_para\_H2; not in this paper\), and 3\.3e\-5 cm^\-1 above liu\_2009's own ortho value 124 357\.237 97\(36\) \(liu\_2009/ie\_ortho\_H2\)\. Confidence level not named \(quadrature sum of 1 sigma statistical and estimated systematic contributions\)\.

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.