Abstract
Formulas for the electrostatic potential, field strength and field gradient due to monopoles, dipoles and quadrupoles are given, based upon the Ewald summation method. A convenient choice of the convergence parameter in the Ewald method is demonstrated in some actual calculations. A method to calculate self-consistent electrostatic fields due to self induced dipoles is evaluated. Monopole and self-consistent fields are calculated in Pb 2O 3, βMn 2 O 3, FeTiO 3, MnF 3 and Pb 3O 4. The influence of the anion parameter on the electrostatic field is investigated for idealized CdCl 2 and TiO 2. Results of Madelung and induced dipole polarization energy for a series of arbitrary compounds are given. The effect of spontaneous polarization in polar crystals is discussed.
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