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Neural network interpolation of exchange-correlation functional

Density functional theory (DFT) is one of the most widely used tools to solve the many-body Schrodinger equation. The core uncertainty inside DFT theory is the exchange-correlation (XC) functional, the exact form of which is still unknown. Therefore, the essential part of DFT success is based on the...

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Detalles Bibliográficos
Autores principales: Ryabov, Alexander, Akhatov, Iskander, Zhilyaev, Petr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7224278/
https://www.ncbi.nlm.nih.gov/pubmed/32409657
http://dx.doi.org/10.1038/s41598-020-64619-8