An alternative to Ewald sums - Part I: Identities for sums

被引：72

作者：

Sperb, R ^{[1
]}

机构：

[1] ETH Zurich, Seminar Angew Math, CH-8092 Zurich, Switzerland

来源：

MOLECULAR SIMULATION | 1998年 / 20卷 / 03期

关键词：

Ewald sum; Coulomb energy;

D O I：

10.1080/08927029808024176

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：

In this paper identities are derived which allow the computation of the Coulomb energy associated with N charges in a central cell and all their periodic images. These identities are all consequences of one basic identity which is obtained in a simple and straightforward way. It is possible to extend the results to other types of potentials as well.

引用

页码：179 / 200

页数：22

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