A new reciprocal space based treatment of long range interactions on surfaces
Mináry P., Tuckerman ME., Pihakari KA., Martyna GJ.
A formalism for treating long range forces on surfaces was introduced. This technique was demonstrated to yield accurate and computationally efficient treatments of both model and realistic surfaces. The method yielded more accurate energetics than the standard supercell approximation and was a factor of 2-3 times more efficient as methods involving the explicit solution of the Poisson equation.