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It is shown that it is now possible to include van der Waals (vdW) interactions via a nonempirical implementation of density functional (DF) theory to describe the correlation energy in electronic structure calculations on infinite systems of no particular symmetry. The vdW-DF theory Phys. Rev. Lett. 92, 246401 (2004) is applied to the adsorption of benzene and naphthalene on an infinite sheet of graphite, as well as the binding between two graphite sheets. A comparison with recent thermal-desorption data Phys. Rev. B 69, 155406 (2004) shows great promise for the vdW-DF method.
Chakarova-Käck et al. (Fri,) studied this question.