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arXiv · 2008.12668

Benchmark Calculations of Electron Impact Electronic Excitation of the Hydrogen Molecule

T. Meltzer·J. Tennyson·Z. Mašín·M. C. Zammit·L. H. Scarlett·D. V. Fursa·I. Bray
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Abstract

We present benchmark integrated and differential cross-sections for electron collisions with H$_2$ using two different theoretical approaches, namely, the R-matrix and molecular convergent close-coupling (MCCC). This is similar to comparative studies conducted on electron-atom collisions for H, He and Mg. Electron impact excitation to the $b \ ^3\Sigma_u^+$, $a \ ^3\Sigma_g^+$, $B \ ^1\Sigma_u^+$, $c \ ^3\Pi_u$, $EF \ ^1\Sigma_g^+$, $C \ ^1\Pi_u$, $e \ ^3\Sigma_u^+$, $h \ ^3\Sigma_g^+$, $B' \ ^1\Sigma_u^+$ and $d \ ^3\Pi_u$ excited electronic states are considered. Calculations are presented in both the fixed nuclei and adiabatic nuclei approximations, where the latter is shown only for the $b \ ^3\Sigma_u^+$ state. Good agreement is found for all transitions presented. Where available, we compare with existing experimental and recommended data.

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T. Meltzer, J. Tennyson, Z. Mašín, M. C. Zammit, L. H. Scarlett, D. V. Fursa, I. Bray. 2020-08-28. Benchmark Calculations of Electron Impact Electronic Excitation of the Hydrogen Molecule. https://doi.org/10.1088/1361-6455%2Fab8c58

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