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ChemicalPhysicsLetters270 (1997) 476-483 Electrostatics by Brownian dynamics
 

Summary: ELSEVIER
30May 1997
ChemicalPhysicsLetters270 (1997) 476-483
CHEMICAL
PHYSICS
LETTERS
Electrostatics by Brownian dynamics:
solving the Poisson equation near dielectric interfaces
Veacheslav Zaloj 1, Noam Agmon
The Fritz Haber Research Center, Department of Physical Chemistry, The Hebrew University, Jerusalem 91904, Israel
Received26 December1996;in finalform31 March1997
Abstract
The isomorphism between electrostatics and diffusion is discussed and utilized to develop a Brownian dynamics algorithm
for solving the Poisson equation near dielectric interfaces. The electrostatic potential behaves as if carried by noninteracting,
randomly moving pseudo-pa~cles whose residence time in a given region of space is proportional to the electrostatic
potential there. By applying random numbers from the exact solution for diffusion near a planar discontinuity, the Brownian
motion of these particles can be propagated for large time steps, independent of spatial grids or artificial boundary conditions.
The applicability of the Brownian algorithm is demonstrated in simple illustrative calculations. 1997 Elsevier Science
B.V.
1. Introduction

  

Source: Agmon, Noam - Institute of Chemistry, Hebrew University of Jerusalem

 

Collections: Chemistry