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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 87, 1996 - Issue 5
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Original Articles

Summation of electrostatic interactions in quasi-two-dimensional simulations

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Pages 1063-1069 | Received 21 Aug 1995, Accepted 19 Oct 1995, Published online: 23 Aug 2006
 

Abstract

We report an extension of Lekner's method (Lekner, J., 1991 Physica A, 176, 485) for charge summation in quasi-two-dimensional simulations for the general case where the simulation cell is rectangular rather than square. The equations developed here for the force components and the potential energy can be included easily in molecular dynamics or Monte Carlo simulations of layers or quasi-two-dimensional confined systems which contain charged species.

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