Correlation problems in atomic and molecular systems. V. Spin-adapted coupled cluster many-electron theory
- 1 July 1977
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 67 (1) , 303-318
- https://doi.org/10.1063/1.434526
Abstract
The graphical techniques of spin algebras are combined with a diagrammatic approach based on the time independent Wick theorem to yield the spin‐adapted form of the coupled cluster theory. The general rules for the implementation of this formalism are formulated and illustrated on the basic coupled‐pair many‐electron theory pertaining to closed shell ground states, for which case the explicit spin‐adapted equations are derived. The advantages of the spin‐adapted form of the theory are discussed along with the new insights it affords.Keywords
This publication has 40 references indexed in Scilit:
- Calculation of j and jm symbols for arbitrary compact groups. I. MethodologyInternational Journal of Quantum Chemistry, 1976
- Variational localized-site cluster expansions. II. Trees and near treesThe Journal of Chemical Physics, 1976
- Variational localized-site cluster expansions. I. General theoryThe Journal of Chemical Physics, 1976
- Beam-foil spectroscopy and new atomic structure theory with a survey of results since 1970Nuclear Instruments and Methods, 1973
- Linked-Cluster Expansions for the Nuclear Many-Body ProblemReviews of Modern Physics, 1967
- Variational approach to the many-body problemNuclear Physics, 1965
- Bound states of a many-particle systemNuclear Physics, 1958
- Zweiteilchennäherungen des mehrkörperproblems INuclear Physics, 1957
- On the theory of condensationPhysica, 1938
- Note on an Approximation Treatment for Many-Electron SystemsPhysical Review B, 1934