Publication
Title
Investigation of exchange potentials for excited states by parameter fitting
Author
Abstract
We have examined the effects of the excitation to ground-state exchange potentials by fitting to empirical ensemble energies in the frame of the Gross-Oliveira-Kohn's density functional theory (GOK-DFT). Empirical ensemble energies for He, Be, B have been determined by using experimental first, second and third excitation energies, and the coefficients of the local term in the exchange functionals concerned, have been fitted to the empirical ensemble energies for a range of the weighting factor characterizing the ensemble. The presented results have been discussed and compared with other theoretical considerations. (C) 2000 Elsevier Science B.V. All rights reserved.
Language
English
Source (journal)
Chemical physics letters. - Amsterdam
Publication
Amsterdam : 2000
ISSN
0009-2614
Volume/pages
324:5-6(2000), p. 440-446
ISI
000088175900018
Full text (Publishers DOI)
Full text (publishers 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 26.04.2017
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