Nalaganje...
Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem
Universal variational functionals of densities, first-order density matrices, and natural spin-orbitals are explicitly displayed for variational calculations of ground states of interacting electrons in atoms, molecules, and solids. In all cases, the functionals search for constrained minima. In par...
Shranjeno v:
| izdano v: | Proc Natl Acad Sci U S A |
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| Glavni avtor: | |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
National Academy of Sciences
1979
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC411802/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16592733/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.76.12.6062 |
| Oznake: |
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