Calculation of the Coulomb energy in quasi-two-dimensional systems.
In this paper we obtain expressions for the Coulomb energy in infinite quasi-two-dimensional systems in the form of fast converging Ewald sums in the three-dimensional coordinate and two-dimensional inverse space needed for accurate formulation of periodic boundary conditions in computer simulations. Numerical tests evidence that the acceptable accuracy in the total energy is achieved by taking into account rather small number of terms in the sum for the inverse space responsible for the long-range part of interaction.
Bystrenko
Oleksiy V
OV
Bogolyubov Institute for Theoretical Physics, 14B Metrolohichna Street, Kiev 03143, Ukraine.