Systematic treatment of correlations in a generalized Hartree-Fock approximation

被引:6
|
作者
Gonis, A [1 ]
Schulthess, TC [1 ]
机构
[1] Univ Calif Lawrence Livermore Natl Lab, Dept Chem & Mat Sci, Livermore, CA 94550 USA
关键词
D O I
10.1088/0953-8984/10/16/007
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The HartreeFock (HF) approximation is generalized to the study of n-particle states, taking correlation effects in interacting quantum-mechanical many-particle systems systematically into account. The case of n = 2 is developed explicitly. It is shown that the form of the HF equations remains essentially the same as in the usual formulation, but with appropriate interpretations of various parameters in terms of n-particle, rather than single; particle, states. We show results of calculations for model systems that illustrate the power of the method when compared to ordinary versions of the HF treatment.
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页码:3535 / 3546
页数:12
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