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Perspective: Chemical Information Encoded in Electron Density
In this perspective, we review the chemical information encoded in electron density and other ingredients used in semilocal functionals. This information is usually looked at from the functional point of view: the exchange density or the enhancement factor are discussed in terms of the reduced densi...
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| Publicado no: | Wu Li Hua Xue Xue Bao |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6510500/ https://ncbi.nlm.nih.gov/pubmed/31080323 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3866/PKU.WHXB201801261 |
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