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A.M.O. calculations for some first row diatomic molecules

✍ Scribed by G. L. Bendazzoli; F. Bernardi; A. Geremia; P. Palmieri


Publisher
Springer
Year
1972
Tongue
English
Weight
299 KB
Volume
27
Category
Article
ISSN
1432-2234

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✍ M. Yu; M. Dolg; P. Fulde; H. Stoll πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 409 KB

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