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Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation.
Proynov E, Liu F, Shao Y, Kong J. Proynov E, et al. J Chem Phys. 2012 Jan 21;136(3):034102. doi: 10.1063/1.3676726. J Chem Phys. 2012. PMID: 22280739 Free PMC article.
In a recent letter [E. Proynov, Y. Shao, and J. Kong, Chem. Phys. Lett. 493, 381 (2010)], Becke's B05 model of nondynamic electron correlation in density functional theory was implemented self-consistently with computational efficiency (the "SCF-RI-B05" scheme). ...
In a recent letter [E. Proynov, Y. Shao, and J. Kong, Chem. Phys. Lett. 493, 381 (2010)], Becke's B05 model of nondynamic elec …
22 results