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Machine Learning Density Functionals from the Random-Phase Approximation
[Image: see text] Kohn–Sham density functional theory (DFT) is the standard method for first-principles calculations in computational chemistry and materials science. More accurate theories such as the random-phase approximation (RPA) are limited in application due to their large computational cost....
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601474/ https://www.ncbi.nlm.nih.gov/pubmed/37800677 http://dx.doi.org/10.1021/acs.jctc.3c00848 |