Meltzer, T;
Tennyson, J;
Mašín, Z;
Zammit, MC;
Scarlett, LH;
Fursa, DV;
Bray, I;
(2020)
Benchmark calculations of electron impact electronic excitation of the hydrogen molecule.
Journal of Physics B: Atomic, Molecular and Optical Physics
, 53
(14)
, Article 145204. 10.1088/1361-6455/ab8c58.
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Abstract
We present benchmark integrated and differential cross-sections for electron collisions with H2 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 b3+u , a3+g , B1+u , c 3u, EF 1+g, C1u, e3+u , h3+g , B1+u and d 3u 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 b3+u state. Good agreement is found for all transitions presented.Where available, we compare with existing experimental and recommended data.
| Type: | Article |
|---|---|
| Title: | Benchmark calculations of electron impact electronic excitation of the hydrogen molecule |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/1361-6455/ab8c58 |
| Publisher version: | https://doi.org/10.1088/1361-6455/ab8c58 |
| Language: | English |
| Additional information: | This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10105506 |
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