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Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy

[Image: see text] From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is fully nonlocal. This functional is self-inter...

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Detalhes bibliográficos
Publicado no:J Phys Chem Lett
Main Authors: Vuckovic, Stefan, Gori-Giorgi, Paola
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2017
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5502414/
https://ncbi.nlm.nih.gov/pubmed/28581751
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.7b01113
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