Orbital population analysis and an approximate mo method

H. Basch

doi:10.1016/0009-2614(71)80628-0

Orbital population analysis and an approximate mo method

H. Basch

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

An approximate MO method has been tested against the exact non-empirical SCF MO result for different definitions of the gross orbital population and different contributing terms in the total energy expression.

Original language	English
Pages (from-to)	110-115
Number of pages	6
Journal	Chemical Physics Letters
Volume	12
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(71)80628-0
State	Published - 1 Dec 1971

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Orbital population analysis and an approximate mo method

Abstract

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