Computing induced charges in inhomogeneous dielectric media

Application in a Monte Carlo simulation of complex ionic systems

D. Boda, Dirk Gillespie, Wolfgang Nonner, Douglas Henderson, Bob Eisenberg

Research output: Contribution to journalArticle

105 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
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume69
Issue number4 2
Publication statusPublished - Apr 2004

Fingerprint

Monte Carlo Simulation
Charge
Computing
range (extremes)
simulation
formulations
Linear Matrix Equations
polarization
matrices
geometry
Extremum
Polarization
Formulation
Simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Condensed Matter Physics
  • Statistical and Nonlinear Physics
  • Mathematical Physics

Cite this

Computing induced charges in inhomogeneous dielectric media : Application in a Monte Carlo simulation of complex ionic systems. / Boda, D.; Gillespie, Dirk; Nonner, Wolfgang; Henderson, Douglas; Eisenberg, Bob.

In: Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 69, No. 4 2, 046702, 04.2004.

Research output: Contribution to journalArticle

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