SUMMATION OF ELECTROSTATIC INTERACTIONS IN QUASI-2-DIMENSIONAL SIMULATIONS

Authors
CLARK AT MADDEN TJ WARREN PB
Citation
At. Clark et al., SUMMATION OF ELECTROSTATIC INTERACTIONS IN QUASI-2-DIMENSIONAL SIMULATIONS, Molecular physics, 87(5), 1996, pp. 1063-1069
Citations number
16
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
87
Issue
5
Year of publication
1996
Pages
1063 - 1069
Database
ISI
SICI code
0026-8976(1996)87:5<1063:SOEIIQ>2.0.ZU;2-L
Abstract
We report an extension of Lekner's method (Lekner, J., 1991 Physica A, 176, 485) for charge summation in quasi-two-dimensional simulations f or the general case where the simulation cell is rectangular rather th an square. The equations developed here for the force components and t he potential energy can be included easily in molecular dynamics or Mo nte Carlo simulations of layers or quasi-two-dimensional confined syst ems which contain charged species.