Calculation of correlation energy by a coupled-cluster approach
- 1 February 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 25 (2) , 671-680
- https://doi.org/10.1103/physreva.25.671
Abstract
The different approximate versions of a coupled-cluster approach (CCA) are discussed and applied for the correlation-energy calculations of small closed-shell molecular systems. The CCA results reproduce the corresponding configuration-interaction correlation energies with very high accuracy. The CCA construction of Nesbet's hierarchy of Bethe-Goldstone equations and the Newton-Raphson method to accelerate the iterative solution of CCA systems of coupled nonlinear equations are presented.Keywords
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