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
收藏
页码：353 / 356
页数：4
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