Variational calculations of the H2+ and HD+ rovibrational energies

Variational calculations of the H2+ and HD+ rovibrational energies

We use the exponential explicitly correlated variational basis set of the type exp(-αnR - βnr1 - γnr2) to calculate systematically the nonrelativistic bound-state energies for the hydrogen molecular ion H2+ and HD+. We perform calculations for the states of the total angular momentum L=0-4 with the...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Hauptverfasser: Bekbaev, Askhat K., Aznabayev, Damir T., Korobov, Vladimir I.
Format: Tagungsbericht
Sprache:eng
Schlagworte:
Angular momentum
Mathematical analysis
Molecular ions
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:We use the exponential explicitly correlated variational basis set of the type exp(-αnR - βnr1 - γnr2) to calculate systematically the nonrelativistic bound-state energies for the hydrogen molecular ion H2+ and HD+. We perform calculations for the states of the total angular momentum L=0-4 with the complete set of vibrational numbers v=0-10.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.5130125