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Linked-Cluster Perturbation Theory for Closed and Open-Shell Systems: Derivation of Effective π-Electron Hamiltonians

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Quantum Theory of Polymers

Part of the book series: NATO Advanced Study Institutes Series ((ASIC,volume 39))

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Abstract

The Brueckner-Goldstone form of linked-cluster perturbation theory is derived, together with its open-shell analog, by an elementary time-independent approach. This serves to focus attention on the physical interpretation of the results. The open-shell expansion is used to provide a straightforward justification for the effective π-electron Hamiltonians of planar organic molecules.

This work was carried out under the auspices of the U.S.E.R.D.A.

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Author information

Authors and Affiliations

  1. Theoretical Division, Los Alamos Scientific Laboratory, University of California, Los Alamos, New Mexico, USA

    B. H. Brandow

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  1. B. H. Brandow
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Editor information

Editors and Affiliations

  1. Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires de Namur, Namur, Belgium

    Jean-Marie André  & Joseph Delhalle  & 

  2. Universität Erlangen-Nürnberg, Erlangen, Deutschland

    János Ladik (Lehrstuhl für Theoretische Chemie) (Lehrstuhl für Theoretische Chemie)

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© 1978 D. Reidel Publishing Company, Dordrecht, Holland

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Brandow, B.H. (1978). Linked-Cluster Perturbation Theory for Closed and Open-Shell Systems: Derivation of Effective π-Electron Hamiltonians. In: André, JM., Delhalle, J., Ladik, J. (eds) Quantum Theory of Polymers. NATO Advanced Study Institutes Series, vol 39. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-9812-4_8

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  • DOI: https://doi.org/10.1007/978-94-009-9812-4_8

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-009-9814-8

  • Online ISBN: 978-94-009-9812-4

  • eBook Packages: Springer Book Archive

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