Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 83, 1994 - Issue 6
85
Views
45
CrossRef citations to date
0
Altmetric
Original Articles

Reaction field, screening, and long-range interactions in simulations of ionic and dipolar systems

Pages 1057-1064 | Received 23 May 1994, Accepted 19 Jul 1994, Published online: 22 Aug 2006
 

Abstract

A method for including the long-range effects of the Coulombic interactions 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-Hückel theory of electrolyte solutions. The result is a relatively simple and tractable computational scheme which incorporates the effects of dielectric and Debye screening.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.