title: Implementation and assessment of a simple nonlocal van der Waals density functional.
abstract: Recently we developed a nonlocal van der Waals density functional (VV09) that has a simple and well-behaved analytic form. In this article, we report a self-consistent implementation of VV09 with an atom-centered basis set. We compute binding energies for a diverse benchmark set and find that VV09 performs well in combination with Hartree-Fock exchange. We compare VV09 with its precursor, discuss likely sources of inaccuracies in both models, and identify some aspects of the methodology where further refinements are desirable.
authors.affiliation: Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA. vydrov@mit.edu
authors.forename: Oleg A
authors.initials: OA
authors.lastname: Vydrov
authors.forename: Troy
authors.initials: T
authors.lastname: Van Voorhis