Calculations of Electrostatic Potential in Ionic Crystals with Direct Summation of the Coulomb Potentials of Point Charges

Electrostatic potentials in ionic crystals have been calculated with direct summation of the Coulomb potential of point charges by the Coker's method. The self-potentials for the lattice ions and the Madelung constants are obtained in high precision and accuracy for several compounds: NaC1, CsCl, CaF2, ZnS, Cu20, 2-4 and 3-3 perovskites. The self-potentials and the Madelung constants for these compounds are consistent with each other and the electrostatic potentials at lattice interstitial points are checked