Exact exchange-correlation potentials from ground-state electron densities

The quest for accurate exchange-correlation functionals has long remained a grand challenge in density functional theory (DFT), as it describes the many-electron quantum mechanical behavior through a computationally tractable quantity—the electron density—without resorting to multi-electron wave fun...

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Detalles Bibliográficos
Autores principales: Kanungo, Bikash, Zimmerman, Paul M., Gavini, Vikram
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6776552/
https://www.ncbi.nlm.nih.gov/pubmed/31582755
http://dx.doi.org/10.1038/s41467-019-12467-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6776552/
https://www.ncbi.nlm.nih.gov/pubmed/31582755
http://dx.doi.org/10.1038/s41467-019-12467-0

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