Computing induced charges in inhomogeneous dielectric media: Application in a Monte Carlo simulation of complex ionic systems

Dezsö Boda, Dirk Gillespie, Wolfgang Nonner, Douglas Henderson, Bob Eisenberg

Research output: Contribution to journalArticle

110 Citations (Scopus)

Abstract

The calculation of the polarization charges using the induced charge computation (ICC) method was presented. A different solution was given for their extremum condition that produced a matrix formulation. The induced charges were calculated using a linear matrix equation Ah=c, where h contained the discretized induced charge density, c depended only on the source charges, and A depended on the geometry of dielectrics which was assumed to be unchanged during the simulation. The efficiency and accuracy of the method was also verified using Monte Carlo simulations for two special cases.

Original languageEnglish
Article number046702
Pages (from-to)046702-1-046702-10
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume69
Issue number4 2
Publication statusPublished - Apr 1 2004

ASJC Scopus subject areas

  • Statistical and Nonlinear Physics
  • Statistics and Probability
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Computing induced charges in inhomogeneous dielectric media: Application in a Monte Carlo simulation of complex ionic systems'. Together they form a unique fingerprint.

  • Cite this