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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...
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
1979
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC411802/ https://ncbi.nlm.nih.gov/pubmed/16592733 |
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