Particle-hole formulation of the unitary group approach to the many-electron correlation problem. I. State construction and classification
- 1 December 1980
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 22 (6) , 2299-2315
- https://doi.org/10.1103/physreva.22.2299
Abstract
A hole-particle version of the unitary group approach to the many-electron correlation problem is given. To achieve a unique state labeling, the subgroup chain of Flores and Moshinsky for the nuclear many-body problem is modified, and the rules for the construction of relevant irreducible representations and of the orthonormal spinadapted states are given. The structure of these hole-particle formalism spin-adapted bases is illustrated on several examples for all the three possible types of the hole-particle defect pertaining to the excitation, electron attachment, or detachment processes relative to the reference state used. The tensor character of the particle formalism electron-number-preserving generators is pointed out, and their basic classification in the hole-particle formalism is given.Keywords
This publication has 38 references indexed in Scilit:
- Unitary Group Approach to the Many-Electron Correlation Problem via Graphical Methods of Spin AlgebrasPhysica Scripta, 1980
- Configuration interaction matrix elements. II. Graphical approach to the relationship between unitary group generators and permutationsInternational Journal of Quantum Chemistry, 1979
- Generalizations of the direct CI method based on the graphical unitary group approach. I. Single replacements from a complete CI root function of any spin, first order wave functionsThe Journal of Chemical Physics, 1979
- The graphical unitary group approach to the electron correlation problem. Methods and preliminary applicationsThe Journal of Chemical Physics, 1979
- Correlation problems in atomic and molecular systems. V. Spin-adapted coupled cluster many-electron theoryThe Journal of Chemical Physics, 1977
- Alternative basis for the theory of complex spectra. IIIPhysical Review A, 1977
- Unitary-group approach to the many-electron correlation problem: Relation of Gelfand and Weyl tableau formulationsPhysical Review A, 1976
- Spin‐Free quantum chemistry. XVIII. The unitary group formulation of the many‐electron problemInternational Journal of Quantum Chemistry, 1976
- On the structure of the canonical tensor operators in the unitary groups. I. An extension of the pattern calculus rules and the canonical splitting in U(3)Journal of Mathematical Physics, 1972
- Transformation Properties of Antisymmetric Spin Eigenfunctions under Linear Mixing of the OrbitalsThe Journal of Chemical Physics, 1972