EFFECTS OF FINITE BASIS-SET EXPANSION AND ELECTRON CORRELATION ON THEATOMIC SHELL STRUCTURE FROM AVERAGE LOCAL ELECTROSTATIC POTENTIAL FUNCTIONS

Authors
DEPROFT F SEN KD GEERLINGS P
Citation
F. Deproft et al., EFFECTS OF FINITE BASIS-SET EXPANSION AND ELECTRON CORRELATION ON THEATOMIC SHELL STRUCTURE FROM AVERAGE LOCAL ELECTROSTATIC POTENTIAL FUNCTIONS, Chemical physics letters, 247(1-2), 1995, pp. 154-158
Citations number
28
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
247
Issue
1-2
Year of publication
1995
Pages
154 - 158
Database
ISI
SICI code
0009-2614(1995)247:1-2<154:EOFBEA>2.0.ZU;2-L
Abstract
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 ca n be neglected in comparison with the effect associated with basis set extension.