English

Benchmark Calculations of Electron Impact Electronic Excitation of the Hydrogen Molecule

Chemical Physics 2020-08-31 v1 Plasma Physics

Abstract

We present benchmark integrated and differential cross-sections for electron collisions with H2_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 3Σu+b \ ^3\Sigma_u^+, a 3Σg+a \ ^3\Sigma_g^+, B 1Σu+B \ ^1\Sigma_u^+, c 3Πuc \ ^3\Pi_u, EF 1Σg+EF \ ^1\Sigma_g^+, C 1ΠuC \ ^1\Pi_u, e 3Σu+e \ ^3\Sigma_u^+, h 3Σg+h \ ^3\Sigma_g^+, B 1Σu+B' \ ^1\Sigma_u^+ and d 3Πud \ ^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 3Σu+b \ ^3\Sigma_u^+ state. Good agreement is found for all transitions presented. Where available, we compare with existing experimental and recommended data.

Keywords

Cite

@article{arxiv.2008.12668,
  title  = {Benchmark Calculations of Electron Impact Electronic Excitation of the Hydrogen Molecule},
  author = {T. Meltzer and J. Tennyson and Z. Mašín and M. C. Zammit and L. H. Scarlett and D. V. Fursa and I. Bray},
  journal= {arXiv preprint arXiv:2008.12668},
  year   = {2020}
}

Comments

21 pages, 25 figures