Benchmark calculations of electron impact electronic excitation of the hydrogen molecule
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. Ele...
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Veröffentlicht in: | Journal of physics. B, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2020-07, Vol.53 (14), p.145204, Article 145204 |
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Hauptverfasser: | , , , , , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | 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 b3Σu+, a3Σg+, B1Σu+, c3Πu, EF1Σg+, C1Πu, e3Σu+, h3Σg+, B′1Σu+ and d3Πu 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 b3Σu+ state. Good agreement is found for all transitions presented. Where available, we compare with existing experimental and recommended data. |
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ISSN: | 0953-4075 1361-6455 |
DOI: | 10.1088/1361-6455/ab8c58 |