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Restoring Size Consistency of Approximate Functionals Constructed from the Adiabatic Connection

[Image: see text] Approximate exchange–correlation functionals built by modeling in a nonlinear way the adiabatic connection (AC) integrand of density functional theory have many attractive features, being virtually parameter-free and satisfying different exact properties, but they also have a funda...

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Detalles Bibliográficos
Autores principales: Vuckovic, Stefan, Gori-Giorgi, Paola, Della Sala, Fabio, Fabiano, Eduardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5994725/
https://www.ncbi.nlm.nih.gov/pubmed/29787273
http://dx.doi.org/10.1021/acs.jpclett.8b01054