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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
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
Hauptverfasser: Meltzer, T, Tennyson, J, Mašín, Z, Zammit, M C, Scarlett, L H, Fursa, D V, Bray, I
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
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.
ISSN:0953-4075
1361-6455
DOI:10.1088/1361-6455/ab8c58