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The orthogonality problem in valence bond calculations

✍ Scribed by Mario Raimondi; Massimo Simonetta

Publisher: John Wiley and Sons
Year: 1976
Tongue: English
Weight: 149 KB
Volume: 10
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560100616

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✦ Synopsis

Abstract

The energy of the π‐electron system in benzene has been obtained by means of valence bond calculations using orthogonal and nonorthogonal basis orbitals at different levels of configuration interaction, which shows the influence of the orthogonalization procedures.

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