Electrostatic interactions in periodic Coulomb and dipolar systems

1 May 1989

journal article
research article
Published by American Physical Society (APS) in Physical Review A

Vol. 39 (10) , 5350-5358
https://doi.org/10.1103/physreva.39.5350

Abstract

We present a new method for calculating electrostatic interactions in periodic systems with charged or dipolar particles. The method is appreciably faster than the Ewald summation method used until now in computer simulations of ionic and dipolar systems. The method may also be used for calculating the periodic crystal field in solids.

Keywords

This publication has 27 references indexed in Scilit:

Computer Simulation of the Static Dielectric Constant of Systems with Permanent Electric Dipoles
Annual Review of Physical Chemistry, 1985
Dynamic simulation of sheared suspensions. I. General method
The Journal of Chemical Physics, 1984
Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations
Molecular Physics, 1984
Simulation of electrostatic systems in periodic boundary conditions. III. Further theory and applications
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1983
Simulation of Polar and Polarizable Fluids
Annual Review of Physical Chemistry, 1981
Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1980
Simulation of electrostatic systems in periodic boundary conditions. II. Equivalence of boundary conditions
Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1980
Static dielectric properties of Stockmayer fluids
Physica A: Statistical Mechanics and its Applications, 1980
Fluctuation theorems for dielectrics with periodic boundary conditions
Physica A: Statistical Mechanics and its Applications, 1980
Structure of water; A Monte Carlo calculation
Chemical Physics Letters, 1969