Effective oscillator strengths and transition energies for the hydrogen molecular ion
The variation-perturbation method using finite basis sets is applied to the hydrogen molecular ion H + 2 . Sets of 'pseudostates' consisting of N pairs of effective oscillator strengths and transition energies are determined and tabulations with N = 6, for both parallel and perpendicular e...
Gespeichert in:
Veröffentlicht in: | Molecular physics 1994-01, Vol.81 (1), p.17-29 |
---|---|
1. Verfasser: | |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | The variation-perturbation method using finite basis sets is applied to the hydrogen molecular ion H
+
2
. Sets of 'pseudostates' consisting of N pairs of effective oscillator strengths and transition energies are determined and tabulations with N = 6, for both parallel and perpendicular electric dipole transitions, are presented over a range of internuclear distances. Various oscillator strength sums, including those involving the logarithms of the transition energies, and Rayleigh-Schrödinger perturbation theoretic expressions are evaluated. In particular, the isotropic and anisotropic components of the dipole-dipole dispersion energy between H
+
2
and each of a number of atoms, H
2
, and N
2
are determined using published pseudostates. |
---|---|
ISSN: | 0026-8976 1362-3028 |
DOI: | 10.1080/00268979400100021 |