v-representability of one-body density matrices
- 18 September 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 64 (4), 042512
- https://doi.org/10.1103/physreva.64.042512
Abstract
We consider low-dimensional model systems with a fixed two-body interaction and a variable (nonlocal) one-body potential. It is shown explicitly that an extended domain of allowed (N-representable) one-body density matrices cannot be generated in this way, the excluded domain depending on the two-body interaction under consideration. This stands in contrast to the behavior of the diagonal part of the density matrix.Keywords
This publication has 16 references indexed in Scilit:
- Constraints upon natural spin orbital functionals imposed by properties of a homogeneous electron gasThe Journal of Chemical Physics, 1999
- Natural Orbital Functional for the Many-Electron ProblemPhysical Review Letters, 1998
- Density Functional TheoryPublished by Springer Nature ,1990
- Density-matrix functional theory for the N-particle ground stateThe Journal of Chemical Physics, 1985
- A one-to-one mapping between one-particle densities and some n-particle ensemblesThe Journal of Chemical Physics, 1980
- Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v -representability problemProceedings of the National Academy of Sciences, 1979
- On a fundamental difference between energy functionals based on first- and on second-order density matricesThe Journal of Chemical Physics, 1979
- Elementary properties of an energy functional of the first-order reduced density matrixThe Journal of Chemical Physics, 1978
- Hohenberg-Kohn theorem for nonlocal external potentialsPhysical Review B, 1975
- Inhomogeneous Electron GasPhysical Review B, 1964