Publication
Title
Electrostatic interpretation of the force connected with the exchange-correlation potential : direct relation to single-particle kinetic energy density in Be-atom
Author
Abstract
In a recent study by one of us [Phys. Rev. A 65 (2002) 034501], an electrostatic interpretation has been proposed for the force -partial derivativeV(xc)/partial derivativer associated with the exchange-correlation potential energy V-xc(r) in a spherical atom such as Be or Ne. Here, this proposal is employed to relate -partial derivativeV(xc)/partial derivativer directly to (a) the exact ground-state density rho(r) (e.g., from diffraction experiments or quantum Monte Carlo simulation) and its low-order derivatives, and (b) the single-particle kinetic energy density t(s)(r), calculated again from the exact p(r), for the example of the Be-atom. It would, of course, be important if this type of relation could be extended beyond a (1s)(2)(2s)(2) two-level single-particle configuration. (C) 2004 Elsevier B.V All rights reserved.
Language
English
Source (journal)
Physics letters: A. - Amsterdam, 1967, currens
Publication
Amsterdam : 2004
ISSN
0375-9601
Volume/pages
324:1(2004), p. 42-45
ISI
000220548300007
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 22.08.2017
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