Uniform electron gases

被引：30
作者：
Gill, Peter M. W. [1 ]
Loos, Pierre-Francois [1 ]
机构：
[1] Australian Natl Univ, Res Sch Chem, Canberra, ACT 0200, Australia
来源：
THEORETICAL CHEMISTRY ACCOUNTS | 2012年 / 131卷 / 01期
基金：
澳大利亚研究理事会;
关键词：
Uniform electron gas; Homogeneous electron gas; Jellium; Density functional theory; INTRACULE FUNCTIONAL MODELS; CORRELATION-ENERGY; COULOMB OPERATOR; EXCHANGE ENERGY; GROUND-STATE; MONTE-CARLO; EXCITED-STATES; RESOLUTIONS; INTEGRALS; ACCURATE;
D O I：
10.1007/s00214-011-1069-7
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 show that the traditional concept of the uniform electron gas (UEG)-a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume-is inadequate to model the UEGs that arise in finite systems. We argue that, in general, a UEG is characterized by at least two parameters, viz. the usual one-electron density parameter rho and a new two-electron parameter eta. We outline a systematic strategy to determine a new density functional E (rho, eta) across the spectrum of possible rho and eta values.
引用
收藏
页码：1 / 9
页数：9
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