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Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability.
Schwabe T, Grimme S. Schwabe T, et al. Among authors: grimme s. Phys Chem Chem Phys. 2007 Jul 14;9(26):3397-406. doi: 10.1039/b704725h. Epub 2007 May 29. Phys Chem Chem Phys. 2007. PMID: 17664963 Review.
The objective of this work is the further systematic improvement of the accuracy of Double-Hybrid Density Functionals (DHDF) that add non-local electron correlation effects to a standard hybrid functional by second-order perturbation theory (S. Grimme, J. Chem. Phys …
The objective of this work is the further systematic improvement of the accuracy of Double-Hybrid Density Functionals (DHDF) that add non-lo …
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 …
564 results