Local Simulation Algorithms for Coulomb Interaction

Preprint

11 December 2001

preprint
Published by arXiv in arXiv

Abstract

Long ranged electrostatic interactions are time consuming to calculate in molecular dynamics and Monte-Carlo simulations. We introduce an algorithm for simulating charged particles which modifies the dynamics so as to allow equilibration using a local Hamiltonian. The method introduces an auxiliary field with constrained dynamics so that the equilibrium distribution is determined by the Coulomb interaction.

Keywords

MONTE CARLO SIMULATIONS
SIMULATION ALGORITHMS
COULOMB INTERACTION
MOLECULAR DYNAMICS
CHARGED PARTICLES
INTERACTION LONG
LOCAL SIMULATION

All Related Versions

Version 1, 2001-11-01, ArXiv
Version 2, 2001-12-11, ArXiv
Version 3, 2003-01-14, ArXiv
Published version: Physical Review Letters, 88 (19), 196402.

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