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Local structure of electron correlations in atomic systems

✍ Scribed by Tao Pang; C.E. Campbell; E. Krotscheck

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
426 KB
Volume
163
Category
Article
ISSN
0009-2614

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✦ Synopsis

The Jastrow-Feenberg functional variation method is applied to study electron correlations in atomic systems. The density and pair distributions of electrons are calculated by solving Euler-Lagrange equations for the pair distribution functions. From the calculated pair distributions, we examine the local structure of the exchange-correlation holes and find a sensitive dependence on the location of the electrons. Our theory gives correlation energies in good agreement with experimental data. We compare our results with those from density functional theories.

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✍ F. de Proft; P. Geerlings πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 486 KB

The effect of electron correlation on the spherically averaged electron density p( r) and the radial density distribution function D(r), exhibiting the shell structure of atoms, is studied, using basis sets consisting of contracted Gaussians, for the atoms Li through Ar. These effects were shown to