Recent progress in constructing nonlocal energy density functionals

被引:2
|
作者
March, NH
Howard, IA
Van Doren, VE
机构
[1] Univ Antwerp, RUCA, Dept Phys, B-2020 Antwerp, Belgium
[2] Univ Oxford, Oxford, England
关键词
density; kinetic functional; exchange;
D O I
10.1002/qua.10506
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:192 / 204
页数:13
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