An Ewald summation based multipole method
An Ewald summation based multipole method
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DOI:
10.1063/1.1289918
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发表时间:
2000-09-01
影响因子:
4.4
通讯作者:
Krasny, R
中科院分区:
文献类型:
--
作者:
Duan, ZH;Krasny, R
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].