Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.
Brandenburg JG, Caldeweyher E, Grimme S.
Brandenburg JG, et al. Among authors: grimme s.
Phys Chem Chem Phys. 2016 Jun 21;18(23):15519-23. doi: 10.1039/c6cp01697a. Epub 2016 May 31.
Phys Chem Chem Phys. 2016.
PMID: 27240749
We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 054107] by a screened Fock exchange variant based on the Henderson-Janesko-Scuseria exchange hole model. ...
We extend the recently introduced PBEh-3c global hybrid density functional [S. Grimme et al., J. Chem. Phys., 2015, 143, 05410 …