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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