Van der Waals density functional applied to adsorption systems

The van der Waals density functional (vdW-DF) [1] is a promising density functional to describe the van der Waals forces within density functional theory. However, despite the recent efforts [2], there is still room for further improvement, especially for describing molecular adsorption on metal surfaces. I will show that by choosing appropriate exchange and nonlocal correlation functionals, it is possible to calculate geometries and electronic structures for adsorption systems accurately within the framework of vdW-DF. Applicability of the present approach will be illustrated with its applications to graphene/metal [3], fullerene/metal [4], and water/graphene interfaces [5].\\[4pt] [1] M. Dion, H. Rydberg, E. Schr{\"o}der, D. C. Langreth, B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).\\[0pt] [2] See for e.g., K. Lee, {\'E}. D. Murray, L. Kong, B. I. Lundqvist, D. C. Langreth, Phys. Rev. B 82, 081101(R) (2010).\\[0pt] [3] I. Hamada and M. Otani, Phys. Rev. B 82, 153412 (2010).\\[0pt] [4] I. Hamada and M. Tsukada, Phys. Rev. B 83, 245437 (2011).\\[0pt] [5] I. Hamada (submitted).