Exchange-correlation hole in polarized insulators: Implications for the microscopic functional theory of dielectrics

被引：27

作者：

Ortiz, G

Souza, I

Martin, RM

机构：

[1] Univ Illinois, Dept Phys, Urbana, IL 61801 USA

[2] Univ Illinois, Mat Res Lab, Urbana, IL 61801 USA

[3] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 80卷 / 02期

关键词：

D O I：

10.1103/PhysRevLett.80.353

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a simple and direct proof that the exchange-correlation hole, and therefore the exchange-correlation energy, in a polarized insulator is not determined by the bulk density alone. It is uniquely characterized by the density and the macroscopic electric polarization of the dielectric medium.

引用

页码：353 / 356

页数：4

共 16 条

[1]

Dreizler R.M., 1990, Density Functional Theory

[2] DENSITY-POLARIZATION FUNCTIONAL THEORY OF THE RESPONSE OF A PERIODIC INSULATING SOLID TO AN ELECTRIC-FIELD [J].