TY - JOUR
T1 - Electrostatics by Brownian dynamics
T2 - Solving the poisson equation near dielectric interfaces
AU - Zaloj, Veacheslav
AU - Agmon, Noam
PY - 1997/5/30
Y1 - 1997/5/30
N2 - 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-particles 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.
AB - 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-particles 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.
UR - http://www.scopus.com/inward/record.url?scp=0031591278&partnerID=8YFLogxK
U2 - 10.1016/S0009-2614(97)00408-9
DO - 10.1016/S0009-2614(97)00408-9
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AN - SCOPUS:0031591278
SN - 0009-2614
VL - 270
SP - 476
EP - 483
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5-6
ER -