A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Authors: Stefan Grimme, Jens Antony, Stephan Ehrlich, Helge Krieg

Year: 2010

Density functional theoryDispersion (optics)Ab initioParametrization (atmospheric modeling)Intramolecular force