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Machine learning accurate exchange and correlation functionals of the electronic density
Density functional theory (DFT) is the standard formalism to study the electronic structure of matter at the atomic scale. In Kohn–Sham DFT simulations, the balance between accuracy and computational cost depends on the choice of exchange and correlation functional, which only exists in approximate...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7360771/ https://www.ncbi.nlm.nih.gov/pubmed/32665540 http://dx.doi.org/10.1038/s41467-020-17265-7 |