Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects
Abstract
In treating a system of N antisymmetric particles, it is shown that, if the total Hamiltonian Hop is degenerate, the eigenstates of the operator used for classifying the corresponding degenerate states may be selected by means of a "projection operator" O. If the total wave function is approximated by such a projection of a single determinant, the description of the system may be reduced to the ordinary Hartree-Fock scheme treating this determinant, if the original Hamiltonian is replaced by a complete Hamiltonian Ωop=O†HopO containing also many-particle interactions. This approach corresponds to a "fixed" configurational interaction, but the scheme has preserved the physical simplicity and visuality of the Hartree-Fock approximation. The idea of "doubly filled" orbitals is abandoned, and the orbitals associated with different spins will automatically try to arrange themselves in such a way that particles having antiparallel spins will tend to avoid each other due to their mutual repulsion.
- Publication:
-
Physical Review
- Pub Date:
- March 1955
- DOI:
- 10.1103/PhysRev.97.1509
- Bibcode:
- 1955PhRv...97.1509L