Benchmark Calculations of Electron Impact Electronic Excitation of the Hydrogen Molecule

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 $b{}^3{\Sigma }_u^{+}$, $a{}^3{\Sigma }_g^{+}$, $B{}^1{\Sigma }_u^{+}$, $c{}^3{\Pi }_u$, $EF{}^1{\Sigma }_g^{+}$, $C{}^1{\Pi }_u$, $e{}^3{\Sigma }_u^{+}$, $h{}^3{\Sigma }_g^{+}$, $B^{\prime }{}^1{\Sigma }_u^{+}$ 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.

21 pages, 25 figures

Cited by in corpus (1)

• Isotopic and vibrational-level dependence of H${}_2$ dissociation by electron impact