N-representability of two-electron densities and density matrices and the application to the few-body problem

被引:54
作者
Pistol, ME [1 ]
机构
[1] Lund Univ, Solid State Phys Nanometer Struct Consortium, S-22100 Lund, Sweden
关键词
D O I
10.1016/j.cplett.2004.11.014
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
We have found a (dense) basis for the N-representable, two-electron densities, in which all N-representable two-electron densities can be expanded, using positive coefficients. The inverse problem of finding a representative wavefunction, giving a prescribed two-electron density, has also been solved. The two-electron densities are found to lie in a convex set in a vector space. An algorithm to compute the ground-state energy of a few-particle system is proposed, based on the obtained results. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码:548 / 552
页数:5
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