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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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Detalles Bibliográficos
Autor Principal: Levy, Mel
Formato: Artigo
Idioma:Inglês
Publicado: 1979
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC411802/
https://ncbi.nlm.nih.gov/pubmed/16592733
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