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....

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Detalles Bibliográficos
Autores principales: Riemelmoser, Stefan, Verdi, Carla, Kaltak, Merzuk, Kresse, Georg
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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

Internet

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

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