Title
Recent progress in constructing nonlocal energy density functionals Recent progress in constructing nonlocal energy density functionals
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
New York, N.Y. ,
Subject
Mathematics
Physics
Chemistry
Source (journal)
International journal of quantum chemistry. - New York, N.Y.
Source (book)
3rd Research Workshop and Graduate School on Phyiscs and Chemistry of, Quantum Systems, MAY 14-18, 2001, DEBRECEN, HUNGARY
Volume/pages
92(2003) :2 , p. 192-204
ISSN
0020-7608
ISI
000181332400012
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Both model results and some exact relations concerning kinetic, exchange, and correlation energy density functionals,will be presented. As to single-particle kinetic energy, a model of harmonic confinement, motivated,by recent experimental activity on Fermion vapors, of an arbitrary number of Fermions will be used to construct exact nonlocal kinetic energy density functionals in both one and three dimensions. Then, some further exact results concerning nuclear cusp conditions for exchange only, and for exchange plus correlation, will be discussed. Finally, in Appendices, the one-shell harmonic confinement is generalized to include Coulomb repulsion in the two-electron Hookean atom and some results, on the Pauli Potentials for many-Fermion systems are obtained. (C) 2003 Wiley Periodicals, Inc.
E-info
https://repository.uantwerpen.be/docman/iruaauth/dfa691/9613932.pdf
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