KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS

Authors
KOGA T THAKKAR AJ
Citation
T. Koga et Aj. Thakkar, KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS, International journal of quantum chemistry, 57(1), 1996, pp. 89-94
Citations number
15
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
57
Issue
1
Year of publication
1996
Pages
89 - 94
Database
ISI
SICI code
0020-7608(1996)57:1<89:KAOAM>2.0.ZU;2-S
Abstract
A kinetic energy analysis of total energy differences in 115 atomic mu ltiplet states is presented. We show by numerical restricted Hartree-F ock calculations that there is a reasonably accurate linear relationsh ip between the kinetic energy of the electrons in open subshells and t he total energy within a manifold of states arising from the same sp(n ) or s(2)p(n) (n = 2, 3, 4) electron configuration in main-group atoms . (C) 1996 John Wiley & Sons, Inc.