Journal of Chemical Physics
Volume 113, Issue 9; Pages: 3492-3495
COMMUNICATIONS

An Ewald Summation Based Multipole Method

Zhong-Hui Duan, Robert Krasny


ABSTRACT    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.

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