An efficient finite field approach for calculating static electric polarizabilities of periodic systems

被引：49

作者：

Kudin, KN

Scuseria, GE

机构：

[1] Rice Univ, Dept Chem, Houston, TX 77005 USA

[2] Rice Univ, Ctr Nanoscale Sci & Technol, Houston, TX 77005 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 18期

关键词：

D O I：

10.1063/1.1315999

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 introduce an efficient finite-field approach for calculating static polarizabilities of periodic systems. Our method yields polarizabilities that exactly match the oligomer extrapolation values. Theoretical details are given and benchmark calculations presented. (C) 2000 American Institute of Physics. [S0021-9606(00)52242-9].

引用

收藏

页码：7779 / 7785

页数：7

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