Implicit density-functional theory

被引:10
|
作者
Liu, Bin
Percus, Jerome K.
机构
[1] NYU, Dept Phys, New York, NY 10003 USA
[2] NYU, Courant Inst Math Sci, New York, NY 10021 USA
[3] NYU, Dept Phys, New York, NY 10021 USA
来源
PHYSICAL REVIEW A | 2006年 / 74卷 / 01期
关键词
D O I
10.1103/PhysRevA.74.012508
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A partial set, which thereby results in a lower bound energy under minimization, is obtained from the solution of model systems, as well as a small number of exact sum rules. Prototypical application is made to several one-dimensional spinless noninteracting models. The effectiveness of "atomic" constraints on model "molecules" is observed, as well as the structure of systems with only finitely many bound states.
引用
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页数:8
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