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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5502414/ https://www.ncbi.nlm.nih.gov/pubmed/28581751 http://dx.doi.org/10.1021/acs.jpclett.7b01113 |