Local Simulation Algorithms for Coulomb Interaction

Preprint

1 November 2001

preprint
Published by arXiv in arXiv

Abstract

Electrostatic interactions are time consuming to treat in molecular dynamics and Monte-Carlo simulations due to their long range. We propose a method of simulating systems of charged particles which modifies the dynamics of the simulated system and allows equilibration using a local Hamiltonian. The method introduces an auxiliary field with dynamics chosen in such a way that equilibrium distribution of the charge degrees of freedom is determined by the Coulomb interaction.

Keywords

ELECTROSTATIC INTERACTIONS
MONTE CARLO SIMULATIONS
COULOMB INTERACTION
MOLECULAR DYNAMICS
CHARGED PARTICLES
SIMULATED SYSTEM
LOCAL SIMULATION
ALGORITHMS

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.

This publication has 0 references indexed in Scilit: