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Critical Bonding in Positive Homonuclear Diatomic Molecular Ions

โœ Scribed by H. Hogreve

Book ID
106195009
Publisher
Springer Vienna
Year
2004
Tongue
English
Weight
116 KB
Volume
34
Category
Article
ISSN
0177-7963

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๐Ÿ“œ SIMILAR VOLUMES

Bonding in alkali metal homonuclear diat
Bonding in alkali metal homonuclear diatomics
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## Abstract An analysis of the factors that contribute to the stability of the bond between alkali metal atoms is made by using nonorthogonal configuration interaction. Beyond the orbital size, the overlap of the valence orbitals of one atom with the core orbitals of the other accounts for most of

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We investigate, by means of ab initio calculations, the strength of electron correlations within covalent bonds: the first-row homonuclear diatomics serve as test cases. As an appropriate measure of the correlation strength, we introduce the reduction of the mean-square deviations of the electronic