Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem.

@article{Levy1979UniversalVF,
  title={Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem.},
  author={Mel Levy},
  journal={Proceedings of the National Academy of Sciences of the United States of America},
  year={1979},
  volume={76 12},
  pages={
          6062-5
        }
}
  • M. Levy
  • Published 1 December 1979
  • Chemistry
  • Proceedings of the National Academy of Sciences of the United States of America
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 particular, following Percus [Formula: see text] is identified as the universal functional of Hohenberg and Kohn for the sum of the kinetic and electron-electron repulsion energies of an N-representable… 

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