Title
Idempotent density matrix derived from a local potential V(r) in terms of HOMO and LUMO properties Idempotent density matrix derived from a local potential V(r) in terms of HOMO and LUMO properties
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Amsterdam ,
Subject
Physics
Chemistry
Source (journal)
Chemical physics letters. - Amsterdam
Volume/pages
385(2004) :3-4 , p. 231-232
ISSN
0009-2614
ISI
000188804400014
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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.
E-info
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