Description of correlated densities for few-electron atoms by simple functional forms

Authors
Porras, I De Saavedra, FA
Citation
I. Porras et Fa. De Saavedra, Description of correlated densities for few-electron atoms by simple functional forms, INT J QUANT, 71(6), 1999, pp. 443-454
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
71
Issue
6
Year of publication
1999
Pages
443 - 454
Database
ISI
SICI code
0020-7608(19990220)71:6<443:DOCDFF>2.0.ZU;2-9
Abstract
Simple analytical functional forms for the electron density of two- and thr ee-electron atoms which reproduce fairly the correlated (exact) values are presented. The procedure is based on the fitting of an auxiliary f(r) funct ion which has adequate properties for this purpose and can be extended to m ore complex atoms. (C) 1999 John Wiley & Sons, Inc.