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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...
Autores principales: | Kanungo, Bikash, Zimmerman, Paul M., Gavini, Vikram |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
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 |
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