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Electron Correlations in Different Electron Bonds
In order to characterize a chemical bond it is not sufficient to know the electronic charge distribution associated with it. Instead one also must know the mean-square deviations of the charges. Their size depends on the strength of electron correlations. We introduce a parameter ∑ in order to characterize the strength of correlations in a bond and compute it for a number of bonds. This includes Cu-O bonds as they appear in the high-Tc Cu based oxides. We point also out that based on a large number of numerical calculations one can derive simple analytical expressions for the inter- and intraatomic correlation energy contributions of molecules involving atoms of the second row.
Electron Correlations in Different Electron Bonds
In order to characterize a chemical bond it is not sufficient to know the electronic charge distribution associated with it. Instead one also must know the mean-square deviations of the charges. Their size depends on the strength of electron correlations. We introduce a parameter ∑ in order to characterize the strength of correlations in a bond and compute it for a number of bonds. This includes Cu-O bonds as they appear in the high-Tc Cu based oxides. We point also out that based on a large number of numerical calculations one can derive simple analytical expressions for the inter- and intraatomic correlation energy contributions of molecules involving atoms of the second row.
Electron Correlations in Different Electron Bonds
Kallio, A. J. (Herausgeber:in) / Pajanne, E. (Herausgeber:in) / Bishop, R. F. (Herausgeber:in) / Fulde, Peter (Autor:in)
Recent Progress in Many-Body Theories ; Kapitel: 7 ; 1 ; 69-73
01.01.1988
5 pages
Aufsatz/Kapitel (Buch)
Elektronische Ressource
Englisch
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