An Ewald summation based multipole method

被引：47

作者：

Duan, ZH ^{[1
]}

Krasny, R ^{[1
]}

机构：

[1] Univ Michigan, Dept Math, Ann Arbor, MI 48109 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 09期

关键词：

D O I：

10.1063/1.1289918

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 present a method for evaluating Coulomb interactions in periodic molecular systems. The real space term in Ewald summation is accelerated using a tree code in which interactions between clusters and distant particles are approximated by multipole expansions. The performance is reported for water systems. (C) 2000 American Institute of Physics. [S0021-9606(00)52333-2].

引用

页码：3492 / 3495

页数：4

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