Density Functional for van der Waals Forces at Surfaces

Abstract

The applicability of density-functional theory is extended to physisorption at surfaces by a proposal for the form of the long-range nonlocal exchange-correlation functional ${E}_{\mathrm{xc}}$. The functional is applied successfully to physisorption of He, Be, and ${\mathrm{H}}_{2}$ on jellium and of ${\mathrm{H}}_{2}$ on the low-indexed faces of Al.