Title
Localization via density functionals Localization via density functionals
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Berlin ,
Subject
Chemistry
Source (journal)
Topics in current physics / Kongelige Norske videnskabers selskab. - Berlin
Volume/pages
203(1999) , p. 201-230
ISSN
0342-6793
ISI
000081878600011
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
After a discussion of the form of low-order density matrices built from strongly orthogonal geminals, density functional theory is utilized to deal with the phenomenon of Wigner electron crystallization. This is followed by a brief treatment of localized versus molecular orbital theories of electrons, illustrated by the stretched Hz molecule. Then a synthesis of density functional and density matrix theory is effected by deriving, following Holas and March, the exchange-correlation potential in terms of first- and second-order density matrices. Localization of correlated electrons by applied magnetic fields is finally discussed, with the example of magnetically induced Wigner solidification as a focal point.
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