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Semilocal density functional obeying a strongly tightened bound for exchange
Because of its useful accuracy and efficiency, density functional theory (DFT) is one of the most widely used electronic structure theories in physics, materials science, and chemistry. Only the exchange-correlation energy is unknown, and needs to be approximated in practice. Exact constraints provi...
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| Publicado no: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4311813/ https://ncbi.nlm.nih.gov/pubmed/25561554 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1423145112 |
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