Tests of the locality of exact Kohn-Sham exchange potentials

被引：12

作者：

Nesbet, RK ^{[1
]}

Colle, R

机构：

[1] IBM Corp, Almaden Res Ctr, 650 Harry Rd, San Jose, CA 95120 USA

[2] Dipartimento Chim Applicata, I-40136 Bologna, Italy

[3] Scuola Normale Super Pisa, I-56126 Pisa, Italy

来源：

PHYSICAL REVIEW A | 2000年 / 61卷 / 01期

关键词：

D O I：

10.1103/PhysRevA.61.012503

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

It is commonly assumed that exact Kohn-Sham theory implies a local exchange-correlation potential fur ground states. Here we show that this is not true for the exchange potential in a Hartree-Fock model of density-functional theory, although Hohenberg-Kohn theorems can be proved for this model. It may not be possible to express exact Kohn-Sham equations in general in terms of density-functional derivatives that are equivalent to local potential functions.

引用

页数：7

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