Electron Correlations in Different Electron Bonds: Fid-Bau Portal

Fachinformationsdienst BAUdigital

A platform for research: civil engineering, architecture and urbanism

Electron Correlations in Different Electron Bonds

Fulde, Peter

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-T_c 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.

Access

Check availability in my library

Order at Subito €

Page navigation

Document information

Export, share and cite

Electron Correlations in Different Electron Bonds

Fulde, Peter

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-T_c 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

Fulde, Peter

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-T_c 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.

Access

Check availability in my library

Order at Subito €

Page navigation

Document information

Export, share and cite

Document information

Title:

Electron Correlations in Different Electron Bonds

Contributors:

Kallio, A. J. (editor) / Pajanne, E. (editor) / Bishop, R. F. (editor) / Fulde, Peter (author)

Published in:

Recent Progress in Many-Body Theories ; Chapter: 7 ; 1 ; 69-73

Publication date:

1988-01-01

Size:

5 pages

ISBN:

978-1-4613-0973-4 , 978-1-4612-8272-3

DOI:

https://doi.org/10.1007/978-1-4613-0973-4_7

Type of media:

Article/Chapter (Book)

Type of material:

Electronic Resource

Language:

English

Keywords:

Electron Correlation , Correlation Energy , Molecular Orbital Theory , Simple Analytical Expression , Charge Fluctuation Physics , Condensed Matter Physics , Characterization and Evaluation of Materials , Physics and Astronomy

Similar titles

Electron Correlations in Atoms

Campbell, C. E. / Pang, Tao / Krotscheck, E. | Springer Verlag | 1990

Electron Correlations and Materials Properties

Gonis, A. | TIBKAT | 1999

Modeling Positron-Electron Correlations in Solids

Gilgien, L. / Car, R. / Ceperley, D. M. | British Library Online Contents | 1997

Influence of Electron-Electron Correlations and Lattice Effects on Positron-Electron Enhancement Factors

Boronski, E. | British Library Online Contents | 2011

Electron-electron correlations in (BEDT-TTF)~2I~3 organic superconductors

Balthes, E. / Nothardt, A. / Wyder, P. et al. | British Library Online Contents | 2004