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Theory of the Inhomogeneous Electron Liquid, Transcending Hartree-Fock

 

作者: N.H. March,   A. Nagy,  

 

期刊: Physics and Chemistry of Liquids  (Taylor Available online 1992)
卷期: Volume 24, issue 3  

页码: 183-191

 

ISSN:0031-9104

 

年代: 1992

 

DOI:10.1080/00319109208027268

 

出版商: Taylor & Francis Group

 

关键词: Wigner correlation energy;jellium model;effective mass

 

数据来源: Taylor

 

摘要:

It is first pointed out that in the jellium model of the homogeneous electron liquid, the correlation energyEc/Nper particle can be directly related to the ratio of the single-particle kinetic energyTsto the exchange energy A. The relevance of this result to the inhomogeneous electron liquid is then explored for light atoms. Such a relation again obtains, but with a markedly different coefficient of proportionality. With such a form of correlation energy, Ec, the Euler equation of density functional theory has somewhat reduced “coefficients” of δTs/δρ(r) and δA/δρ(r). The Hartree-Fock Euler equation is regained by puttingEc= 0. Modified Slater-Kohn-Sham equations are obtained, their use being illustrated by an atomic example.

 

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