Direct Determination of Pure-State Density Matrices. V. Constrained Eigenvalue Problems
- 5 January 1969
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 177 (1) , 27-33
- https://doi.org/10.1103/physrev.177.27
Abstract
A density-matrix approach to constrained eigenvalue problems is presented. It is shown that all of the linearly independent eigenvectors of an Hermitian matrix can be generated with the idempotency equations ( equations) developed in previous papers of this series. In particular, the method is applied to variational calculations in and He.
Keywords
This publication has 15 references indexed in Scilit:
- Direct Determination of Pure-State Density Matrices. II. Construction of Constrained Idempotent One-Body DensitiesPhysical Review B, 1969
- Direct Determination of Pure-State Density Matrices. IV. Investigation of Another Constraint and Another Application of theEquationsPhysical Review B, 1969
- Direct Determination of Pure-State Density Matrices. III. Purely Theoretical Densities Via an Electrostatic-Virial TheoremPhysical Review B, 1969
- Direct Determination of Pure-State Density Matrices. I. Some Simple Introductory CalculationsPhysical Review B, 1969
- Perturbation Theory of the Constrained Variational Method in Molecular Quantum MechanicsThe Journal of Chemical Physics, 1966
- Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 ElectronsThe Journal of Chemical Physics, 1963
- Constrained Molecular Wavefunctions: HF MoleculeThe Journal of Chemical Physics, 1963
- Classical and Quantum Mechanical Hypervirial TheoremsThe Journal of Chemical Physics, 1960
- Some Recent Advances in Density Matrix TheoryReviews of Modern Physics, 1960
- Wave Mechanical Treatment of the Molecule Li2+The Journal of Chemical Physics, 1935