Limitation on the density-equation approach to many-electron problems
- 1 May 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 19 (5) , 1893-1895
- https://doi.org/10.1103/physreva.19.1893
Abstract
The density equation proposed by Nakatsuji assumes a matrix form when a basis set is introduced. The matrix equation is shown to have highly degenerate solutions for almost any value of the energy, and thus to provide little useful information in the absence of -representability constraints. The imposition of such constraints is also considered, and approximate constraints are predicted to be of little value.
Keywords
This publication has 8 references indexed in Scilit:
- Geometry of density matrices. II. Reduced density matrices andrepresentabilityPhysical Review A, 1978
- Hierarchy equations for reduced transition operatorsPhysical Review A, 1977
- Equation for the direct determination of the density matrixPhysical Review A, 1976
- Separation of spin and the fock coordinate wave function method in the N-representability problemTheoretical and Mathematical Physics, 1976
- Hierarchy equations for reduced density matricesPhysical Review A, 1976
- Convex AnalysisPublished by Walter de Gruyter GmbH ,1970
- Structure of Fermion Density MatricesReviews of Modern Physics, 1963
- Quantum Theory of Many-Particle Systems. II. Study of the Ordinary Hartree-Fock ApproximationPhysical Review B, 1955