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Communication: rationale for a new class of double-hybrid approximations in density-functional theory.
Toulouse J, Sharkas K, Brémond E, Adamo C. Toulouse J, et al. Among authors: bremond e. J Chem Phys. 2011 Sep 14;135(10):101102. doi: 10.1063/1.3640019. J Chem Phys. 2011. PMID: 21932868
We provide a rationale for a new class of double-hybrid approximations introduced by Bremond and Adamo [J. Chem. Phys. 135, 024106 (2011)] which combine an exchange-correlation density functional with Hartree-Fock exchange weighted by lambda and second-order Moller-Plesset …
We provide a rationale for a new class of double-hybrid approximations introduced by Bremond and Adamo [J. Chem. Phys. 135, 024106 (2 …
Assessing modern GGA functionals for solids.
Labat F, Brémond E, Cortona P, Adamo C. Labat F, et al. Among authors: bremond e. J Mol Model. 2013 Jul;19(7):2791-6. doi: 10.1007/s00894-012-1646-2. Epub 2012 Nov 8. J Mol Model. 2013. PMID: 23135534
60 results