A double expansion method for calculating molecular properties II. Ground state energies of one- and two-electron diatomic molecular systems

Keith B Lodge

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Using a form of double perturbation theory we present results of calculations on the ground state energies for the diatomic systems H2+, HHe2+, H2 and HHe+. For the homonuclear systems the energy values are unexpectedly good. For the heteronuclear cases the results are very encouraging and lead to optimism about the application of the method to larger systems which contain one heavy atom.

Original languageEnglish (US)
Pages (from-to)775-784
Number of pages10
JournalMolecular Physics
Volume21
Issue number5
DOIs
StatePublished - Jan 1 1971

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molecular properties
Ground state
Electrons
Atoms
expansion
ground state
electrons
perturbation theory
energy
atoms
Optimism

Cite this

A double expansion method for calculating molecular properties II. Ground state energies of one- and two-electron diatomic molecular systems. / Lodge, Keith B.

In: Molecular Physics, Vol. 21, No. 5, 01.01.1971, p. 775-784.

Research output: Contribution to journalArticle

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