Electrostatic interactions in periodic Coulomb and dipolar systems

B. Cichocki (1) , B.U. Felderhof (2) , Konrad Hinsen (2)

1 UW - University of Warsaw
2 RWTH - Rheinisch-Westfälische Technische Hochschule Aachen University

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.

Domaines: Chimie théorique et/ou physique; Physique [physics]

B. Cichocki, B.U. Felderhof, Konrad Hinsen. Electrostatic interactions in periodic Coulomb and dipolar systems. Physical Review A, 1989, 39 (10), pp.5350-5358. ⟨10.1103/PhysRevA.39.5350⟩. ⟨hal-02159845⟩