Symmetry-adapted coupled-pair approach to the many-electron correlation problem. III. Approximate coupled-pair approaches for the Be atom
- 1 November 1981
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 24 (5) , 2330-2338
- https://doi.org/10.1103/physreva.24.2330
Abstract
Various approximations to the orthogonally spin- and orbital-symmetry-adapted coupled-pair many-electron theory (CPMET) are suggested and discussed. These approximations include methods of the well-known coupled-electron-pair-approximation (CEPA) type and methods consisting of truncating the number of pair clusters considered in the nonlinear part of the CPMET. To enable assessment of the reliability of our approximate approaches in the presence of quasidegeneracy effects, calculations of the correlation energy are performed for the Be-atom ground state.Keywords
This publication has 23 references indexed in Scilit:
- Symmetry-adapted coupled-pair approach to the many-electron correlation problem. II. Application to the Be atomPhysical Review A, 1981
- Symmetry-adapted coupled-pair approach to the many-electron correlation problem. I.-adapted theory for closed-shell atomsPhysical Review A, 1981
- Applicability of coupled‐pair theories to quasidegenerate electronic states: A model studyInternational Journal of Quantum Chemistry, 1980
- Molecular Applications of Coupled Cluster and Many-Body Perturbation MethodsPhysica Scripta, 1980
- Quasi-degeneracy and coupled-pair theoriesChemical Physics Letters, 1979
- Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the BMoleculePhysical Review A, 1972
- Correlation problems in atomic and molecular systems III. Rederivation of the coupled‐pair many‐electron theory using the traditional quantum chemical methodstInternational Journal of Quantum Chemistry, 1971
- On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical MethodsThe Journal of Chemical Physics, 1966
- Correlation Effects in Many Fermion Systems. II. Linked ClustersPhysical Review B, 1964
- Correlation Effects in Many-Fermion Systems: Multiple-Particle Excitation ExpansionPhysical Review B, 1963