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Survival of the most transferable at the top of Jacob’s ladder: Defining and testing the ωB97M(2) double hybrid density functional

A meta-generalized gradient approximation, range-separated double hybrid (DH) density functional with VV10 non-local correlation is presented. The final 14-parameter functional form is determined by screening trillions of candidate fits through a combination of best subset selection, forward stepwis...

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Detalhes bibliográficos
Publicado no:J Chem Phys
Main Authors: Mardirossian, Narbe, Head-Gordon, Martin
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5991970/
https://ncbi.nlm.nih.gov/pubmed/29960332
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5025226
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