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Coupled Cluster Approaches to Many-Electron Correlation Problem

  • Conference paper
New Horizons of Quantum Chemistry

Part of the book series: International Academy of Quantum Molecular Science ((QUCH,volume 4))

Abstract

The origins, basic ideas and methodological developments of the coupled cluster approach (CCA) to the atomic and molecular many-electron correlation problem are briefly outlined. A rudimentary derivation of basic concepts of the CCA is attempted exploiting only very general algebraic concepts and the idea of an effective Hamiltonian. The relationship with other approaches to the correlation problem is pointed out. An extension of the CCA to quasi-degenerate cases is briefly contemplated and a generalization of the Davidson correction to a multi-reference case is suggested.

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Authors and Affiliations

  1. Department of Applied Mathematics, Department of Chemistry and Guelph-Waterloo Center for Graduate Work in Chemistry, Waterloo Campus, University of Waterloo, Waterloo, Ontario, Canada, N2L 3G1

    Josef Paldus

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  1. Josef Paldus
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Editors and Affiliations

  1. Department of Quantum Chemistry, Uppsala University, Uppsala, Sweden

    Per-Olov Löwdin

  2. Institut de Biologie Physico-Chimique, Paris, France

    Bernard Pullman

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Paldus, J. (1983). Coupled Cluster Approaches to Many-Electron Correlation Problem. In: Löwdin, PO., Pullman, B. (eds) New Horizons of Quantum Chemistry. International Academy of Quantum Molecular Science, vol 4. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-7950-5_5

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