Publication
Title
Idempotent density matrix derived from a local potential V(r) in terms of HOMO and LUMO properties
Author
Abstract
In a recent paper one of us has exposed a link between the idempotent Dirac density matrix built from occupied Kohn-Sham orbitals and the frontier orbitals. An alternative argument is here presented, from the equation of motion of the density matrix generated by any local potential V(r). (C) 2004 Elsevier B.V. All rights reserved.
Language
English
Source (journal)
Chemical physics letters. - Amsterdam
Publication
Amsterdam : 2004
ISSN
0009-2614
Volume/pages
385:3-4(2004), p. 231-232
ISI
000188804400014
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 25.06.2017
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