Answers are grounded in this paper and cite their sources.
The recent nonlocal correlation functional of Vydrov and van Voorhis [J. Chem. Phys. 133, 244103 (2010)] is investigated and two new versions of the functional are suggested as being appropriate for describing van der Waals interactions in solids. A refitting of the original functional is demonstrated to result in very accurate interlayer binding energies for weakly bonded layered solids. A VV10 functional based on the generalized gradient approximation by Armiento and Mattsson [Phys. Rev. B 72, 085108 (2005)], while performing slightly worse for interlayer binding, is highly successful in describing the equilibrium geometries of both weakly bonded and close packed solids.
No takes yet. Share an insight, caveat, or question.
Torbjörn Björkman (2012) studied this question.
Synapse has enriched 5 related papers. Consider them for comparative context: