Ewald summation of electrostatic interactions in molecular dynamics of a three-dimensional system with periodicity in two directions

被引：94

作者：

Grzybowski, A ^{[1
]}

Gwózdz, E ^{[1
]}

Bródka, A ^{[1
]}

机构：

[1] Silesian Univ, Inst Phys, PL-40007 Katowice, Poland

来源：

PHYSICAL REVIEW B | 2000年 / 61卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.61.6706

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The Poisson summation formula is used to calculate the effective interaction of charged particles in a three-dimensional system with periodicity in two dimensions. The interaction energy expression is identical to that obtained from the Berthaut approach for the Gaussian spreading function, and its correspondence with the results of the Rhee-Halley-Hautman-Rahman method is shown. The formalism based on the Poisson summation formula is used also to calculate the interaction energy of point-dipole moments.

引用

页码：6706 / 6712

页数：7

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