Application of van der Waals Density Functionals to Extended Systems

Recently we proposed\footnote{K. Lee, \'{E}. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys.\ Rev.\ B\ \textbf{82}, 081101(R) (2010).} a second version of a van der Waals density functional\footnote{M. Dion, H. Rydberg, E. Schr\"{o}der, D. C. Langreth, and B. I. Lundqvist, Phys.\ Rev.\ Lett. \textbf{92}, 246401 (2004); T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard, and D. C. Langreth, Phys.\ Rev.\ B \textbf{76}, 125112 (2007).} and showed its accuracy for small molecular duplexes as well as a few extended systems. As further applications to extended systems, we present results for molecular adsorptions on surfaces, molecular crystals, and organic ferroelectrics. A comparison with experiments is also given for different functionals.