Second-order perturbation treatment of the ground state of H2+

M. Jackson*, R. P. Mceachran, M. Cohen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Rayleigh-Schrödinger perturbation theory has been used through second order to obtain an analytic representation for the ground-state wavefunction of H2+. Values of the electronic energy and other molecular properties computed with this approximate wavefunction are compared with the corresponding exact values, and they demonstrate its high accuracy.

Original languageEnglish
Pages (from-to)102-106
Number of pages5
JournalThe Journal of Chemical Physics
Volume52
Issue number1
DOIs
StatePublished - 1970
Externally publishedYes

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