Michael E Foster
Affiliation: Drexel University
- Empirically corrected DFT and semi-empirical methods for non-bonding interactionsMichael E Foster
Department of Chemistry, Drexel University, 3141 Chestnut Street, Philadelphia, PA 19104, USA
Phys Chem Chem Phys 12:307-22. 2010..The accuracy of empirically-corrected density functional theory (DFT-D) and empirically-corrected semiempirical (SE-D) methods are reviewed here. The analysis considers both the ability to reproduce benchmark energies and geometries...