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Cost-effective description of strong correlation: Efficient implementations of the perfect quadruples and perfect hextuples models.
Lehtola S, Parkhill J, Head-Gordon M. Lehtola S, et al. Among authors: parkhill j. J Chem Phys. 2016 Oct 7;145(13):134110. doi: 10.1063/1.4964317. J Chem Phys. 2016. PMID: 27782439
Novel implementations based on dense tensor storage are presented for the singlet-reference perfect quadruples (PQ) [J. A. Parkhill et al., J. Chem. Phys. 130, 084101 (2009)] and perfect hextuples (PH) [J. A. Parkhill and M. Head-Gordon, J …
Novel implementations based on dense tensor storage are presented for the singlet-reference perfect quadruples (PQ) [J. A. Parkhil …
752 results