✦ LIBER ✦

Effects of finite basis set expansion and electron correlation on the atomic shell structure from average local electrostatic potential functions

✍ Scribed by F. De Proft; K.D. Sen; P. Geerlings

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 310 KB
Volume: 247
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)01199-7

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✦ Synopsis

The shell structure of a selected number of atoms is studied using the average local electrostatic potential function V(r)/p(r) and Gaussian type orbitals. In addition, the influence of electron correlation on this function is discussed: these effects are shown to be small and can be neglected in comparison with the effect associated with basis set extension.