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Auxiliary field Monte Carlo for charged particles
Authors:Maggs A C
Affiliation:Laboratoire de Physico-Chimie Theorique, UMR CNRS-ESPCI 7083, 10 Rue Vauquelin, F-75231 Paris Cedex 05, France.
Abstract:This article describes Monte Carlo algorithms for charged systems using constrained updates for the electric field. The method is generalized to treat inhomogeneous dielectric media, electrolytes via the Poisson-Boltzmann equation and considers the problem of charge and current interpolation for off lattice models. We emphasize the differences between this algorithm and methods based on the electrostatic potential, calculated from the Poisson equation.
Keywords:
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