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

K. B. Lodge

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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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