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
收藏
页码：3492 / 3495
页数：4
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