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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...
Shranjeno v:
| izdano v: | Nat Commun |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Nature Publishing Group UK
2019
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6776552/ https://ncbi.nlm.nih.gov/pubmed/31582755 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-019-12467-0 |
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