REACTION FIELD, SCREENING, AND LONG-RANGE INTERACTIONS IN SIMULATIONSOF IONIC AND DIPOLAR SYSTEMS

Authors
BARKER JA
Citation
Ja. Barker, REACTION FIELD, SCREENING, AND LONG-RANGE INTERACTIONS IN SIMULATIONSOF IONIC AND DIPOLAR SYSTEMS, Molecular physics, 83(6), 1994, pp. 1057-1064
Citations number
26
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
83
Issue
6
Year of publication
1994
Pages
1057 - 1064
Database
ISI
SICI code
0026-8976(1994)83:6<1057:RFSALI>2.0.ZU;2-G
Abstract
A method for including the long-range effects of the Coulombic interac tions of ions and dipoles in computer simulations of ionic systems is described. It combines the idea of the 'reaction field' often used in the simulation of dipolar materials with the ideas of the Debye-Huckel theory of electrolyte solutions. The result is a relatively simple an d tractable computational scheme which incorporates the effects of die lectric and Debye screening.