van der Waals forces in density functional theory: a review of the vdW-DF method

A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in\ncondensed matter, materials physics, chemistry, and biology is reviewed. The insights that led\nto the construction of the Rutgers–Chalmers van der Waals density functional (vdW-DF) are\npresented with the aim of giving a historical perspective, while also emphasizing more recent\nefforts which have sought to improve its accuracy. In addition to technical details, we discuss\na range of recent applications that illustrate the necessity of including dispersion interactions\nin DFT. This review highlights the value of the vdW-DF method as a general-purpose method,\nnot only for dispersion bound systems, but also in densely…

• NS
  National Science Foundation

  Award: DMR-1145968
• SF
  Svenska Forskningsrådet Formas

  Awards: VR-2010-4149, VR-2011-4052
• BE
  Basic Energy Sciences