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...

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Veröffentlicht in:Molecular physics 1994-01, Vol.81 (1), p.17-29
1. Verfasser: Babb, James F.
Format: Artikel
Sprache:eng
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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