Integrals Over Two‐Centre Orbitals

R. P. McEachran*, M. Cohen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

We present analytic recursion formulae sufficient to generate electron repulsion integrals calculated with σ‐type two‐centre basis functions. A simple calculation of the ground state energy of the hydrogen molecule, using some of the integrals generated by this method, yields total energies in fair agreement with more accurate values.

Original languageEnglish
Pages (from-to)5-13
Number of pages9
JournalIsrael Journal of Chemistry
Volume13
Issue number1
DOIs
StatePublished - 1975

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