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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.

Original publication

DOI

10.1063/1.1453397

Type

Journal article

Journal

Journal of Chemical Physics

Publication Date

01/04/2002

Volume

116

Pages

5351 - 5362