An improved James function for the ground state of H+2

R. P. McEachran*, M. Cohen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The James function for the ground state of H+2 has been corrected through first order of Rayleigh-Schrödinger perturbation theory. The resulting energies are effectively exact over a range of internuclear separations from 0 to 5 au.

Original languageEnglish
Pages (from-to)298-302
Number of pages5
JournalChemical Physics Letters
Volume20
Issue number3
DOIs
StatePublished - 1 Jun 1973
Externally publishedYes

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