Perturbation Theory for the Fock-Dirac Density Matrix
- 1 May 1962
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 126 (3) , 1028-1034
- https://doi.org/10.1103/physrev.126.1028
Abstract
In Hartree-Fock theory and its various generalizations, it is customary to solve an eigenvalue problem involving an effective one-body Hamiltonian. The eigenvectors determine the Fock-Dirac density matrix, which also appears in the effective Hamiltonian, and solution proceeds iteratively until self-consistency is achieved.Keywords
This publication has 9 references indexed in Scilit:
- Some Recent Advances in Density Matrix TheoryReviews of Modern Physics, 1960
- The density matrix in self-consistent field theory - III. Generalizations of the theoryProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1957
- The density matrix in self-consistent field theory II. Applications in the molecular orbital theory of conjugated systemsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1956
- The density matrix in self-consistent field theory I. Iterative construction of the density matrixProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1956
- Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation EffectsPhysical Review B, 1955
- Quantum Theory of Many-Particle Systems. II. Study of the Ordinary Hartree-Fock ApproximationPhysical Review B, 1955
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951
- Wave Functions of Many-Electron AtomsMathematical Proceedings of the Cambridge Philosophical Society, 1931
- Note on the Interpretation of the Density Matrix in the Many-Electron ProblemMathematical Proceedings of the Cambridge Philosophical Society, 1931