Hee-Seung Lee, Mark E. Tuckerman, et al.
ChemPhysChem
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.
Hee-Seung Lee, Mark E. Tuckerman, et al.
ChemPhysChem
Ramkumar V. Vadali, Yan Shi, et al.
Journal of Computational Chemistry
Mark E. Tuckerman, Michele Parrinello
The Journal of Chemical Physics
Peter Mináry, Joseph A. Morrone, et al.
Journal of Chemical Physics