Electron-scattering on molecular hydrogen: convergent close-coupling approach⋆
Curtin Institute for Computation and Department of Physics and Astronomy, Curtin University, Perth, Western Australia 6102, Australia
2 Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
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Received in final form: 26 December 2019
Published online: 20 February 2020
Calculations of electron-impact excitation cross sections for molecular hydrogen have been performed using spherical- and spheroidal-coordinate formulations of the molecular convergent close-coupling method. We present a comparison and find good agreement between the results of these two techniques performed within the fixed-nuclei approximation for excitation from the ground X 1Σg+ (v = 0) state of H2 to the B 1Σu+ , C 1Πu, B′ 1Σu+ , D 1Πu, E F 1Σg+ , b 3Σu+ , c 3Πu+ , a 3Σu+ , e 3Σu+ , h 3Σg+ , and d 3Πu states. For the spheroidal-coordinate approach the adiabatic-nuclei method has been applied, allowing for a more reliable estimate of cross sections at near-threshold energies. Comparison of the adiabatic-nuclei cross sections with the corresponding fixed-nuclei cross sections is also presented.
© EDP Sciences / Società Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature, 2020