Publication
Title
Concept of the Pauli potential in density functional theory
Author
Abstract
After a brief summary of early work introducing the concept of the Pauli potential, it is here considered in some detail in the context of the differential virial theorem and the closely related forcebalance equation. Specific applications are cited for the non-relativistic Be-like series of atomic ions for arbitrary atomic number Z, and then more generally for spherically symmetric ground-state electron densities. Finally the fact that the Pauli potential has some interesting consequences in relation to the, as yet unknown, exchangecorrelation energy and the corresponding potential energy is also stressed.
Language
English
Source (journal)
Theochem: applications of theoretical chemistry to organic, inorganic and biological problems. - Amsterdam, 1981 - 2010
Publication
Amsterdam : 2010
ISSN
0166-1280
Volume/pages
943:1/3(2010), p. 77-82
ISI
000275587600012
Full text (Publishers DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 30.03.2010
Last edited 21.05.2017
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