We present a clear and rigorous derivation of the Ewald-like method for calculation of the electrostatic energy of the systems infinitely periodic in two dimensions and of finite size in the third dimension (slabs).
Revised: August 13, 2019 |
Published: August 10, 1997
Citation
Wasserman E., E. Wasserman, J.R. Rustad, A.R. Felmy, B.P. Hay, and J.W. Halley. 1997.Ewald Methods for Polarizable Surfaces with Application of Hydroxylation and Hydrogen Bonding on the (012) and (001) Sufaces of Alpha-Fe2O3.Surface Science 385, no. 2-3:217-239.PNNL-SA-28089.doi:10.1016/S0039-6028(97)00144-1