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Benchmark calculations of electron impact electronic excitation of the hydrogen molecule

Publikace na Matematicko-fyzikální fakulta |
2020

Tento text není v aktuálním jazyce dostupný. Zobrazuje se verze "en".Abstrakt

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. 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), (EFEg+)-E-1, 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)E(u)(+) state.

Good agreement is found for all transitions presented. Where available, we compare with existing experimental and recommended data.