A Higher-Accuracy van der Waals Density Functional

Kyuho Lee, Éamonn D. Murray, Lingzhu Kong +2

We propose a second version of the van der Waals density functional (vdW-DF2) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange func…