Optimized Lieb-Oxford bound for the exchange-correlation energy

被引：66

作者：

Chan, GKL ^{[1
]}

Handy, NC ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England

来源：

PHYSICAL REVIEW A | 1999年 / 59卷 / 04期

关键词：

D O I：

10.1103/PhysRevA.59.3075

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Using the ideas of Lieb and Oxford [Int. J. Quantum Chem. 19, 427 (1981)], we show that the exchange-correlation energy, and indirect part of the Coulomb energy, are bounded from below by -1.6358 integral rho(4/3)(x)dx, where rho(x) is the single-particle density. [S1050-2947(99)02003-X].

引用

页码：3075 / 3077

页数：3

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