✦ LIBER ✦

The effect of electron correlation on the shell structure of atoms

✍ Scribed by F. de Proft; P. Geerlings

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 486 KB
Volume: 220
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00187-1

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✦ Synopsis

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 be of smaller importance as compared to the effect associated to basis set extension.

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