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Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust than Double-Hybrid DFT?

Authors :
Semidalas, Emmanouil
Martin, Jan M. L.
Source :
Journal of Chemical Theory & Computation; 7/14/2020, Vol. 16 Issue 7, p4238-4255, 18p
Publication Year :
2020

Details

Language :
English
ISSN :
15499618
Volume :
16
Issue :
7
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
144583949
Full Text :
https://doi.org/10.1021/acs.jctc.0c00189