Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection

[Image: see text] The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange–correlation hole. These local models are more amenable to the construction of size-...

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Detalles Bibliográficos
Autores principales: Vuckovic, Stefan, Irons, Tom J. P., Savin, Andreas, Teale, Andrew M., Gori-Giorgi, Paola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2016
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910137/
https://www.ncbi.nlm.nih.gov/pubmed/27116427
http://dx.doi.org/10.1021/acs.jctc.6b00177

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910137/
https://www.ncbi.nlm.nih.gov/pubmed/27116427
http://dx.doi.org/10.1021/acs.jctc.6b00177

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