A New Method for Computation of Long Ranged Coulomb Forces in Computer Simulation of Disordered Systems

摘要

Applications of a new method for computation of Coulomb forces in Monte Carlo or molecular dynamics simulation of a wide class of disordered systems including plasmas, ionic fluids and amorphous solids is discussed. This method, based on angular averaging of Ewald sums over all orientations of the reciprocal lattice under conditions of computer simulation, eliminates periodicity artifacts imposed by conventional Ewald scheme and provides much faster computation of electrostatic energy in computer simulations of disordered condensed systems.