Publication
Title
Differential virial theorem in density-functional theory in terms of the Pauli potential for spherically symmetric electron densities: Illustrative example for the family of Be-like atomic ions
Author
Abstract
The differential virial theorem relates the force −V/r associated with the one-body potential V(r) of density-functional theory to the Laplacian 2n of the ground-state density n(r) and to a quantity zs(r) involving the kinetic energy density tensor t(r). Having the concept of the Pauli potential VP(r), zs is derived for spherically symmetric ground-state densities n(r) in terms of the von Weizsäcker kinetic energy density and the first derivative of VP(r). zs is related solely to the gradient kinetic energy density tG(r) for Be-like atomic ions.
Language
English
Source (journal)
Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
Publication
Lancaster, Pa : 2008
ISSN
1094-1622 [online]
1050-2947 [print]
Volume/pages
78:4(2008), p. 044501,1-044501,4
ISI
000260574100174
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 28.04.2009
Last edited 23.11.2017
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