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Unveiling the Physics Behind Hybrid Functionals
[Image: see text] We show that accurate exchange–correlation hybrid functionals give very physically optimized effective-correlation potentials, capable of correctly describing the quantum oscillations of atoms and molecules. Based on this analysis and on understanding the error cancellation between...
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| Publicado no: | J Phys Chem A |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2020
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7590981/ https://ncbi.nlm.nih.gov/pubmed/32551627 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpca.0c04156 |
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