KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS .3. F(M) CONFIGURATIONS

Citation
T. Koga et al., KINETIC-ENERGY ANALYSIS OF ATOMIC MULTIPLETS .3. F(M) CONFIGURATIONS, Theoretica Chimica Acta, 93(3), 1996, pp. 157-163
Citations number
6
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00405744
Volume
93
Issue
3
Year of publication
1996
Pages
157 - 163
Database
ISI
SICI code
0040-5744(1996)93:3<157:KAOAM.>2.0.ZU;2-B
Abstract
A kinetic energy analysis of total energy differences in atomic multip lets arising from f(m) (m = 2-12) electronic configurations is perform ed within the nonrelativistic restricted Hartree-Fock framework. For t hese 1290 multiplets of 22 lanthanoid (Ce to Er) and actinoid (Th to F m) atoms, a very good linear correlation between the total energy diff erence and the kinetic energy difference of the outermost f-electrons is found. The present results, together with our previous ones for the multiplets arising from s(m)p(n) (m = 1, 2; n = 2-4) and s(m)d(n) (m = 0-2; n = 2-8) electronic configurations, demonstrate that the kineti c energy difference of electrons in open subshells is an excellent pre dictor of total energy differences among atomic multiplet states.