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Diagrammatic Many-Body Perturbation Theory

  • Chapter
Methods in Computational Molecular Physics

Part of the book series: NATO ASI Series ((ASIC,volume 113))

Abstract

The application of the diagrammatic many-body perturbation theory to the problem of molecular electronic structure is described. An overview of the basic formalism and properties of the method is given together with a discussion of various aspects of the truncation of the perturbation expansion, emphasizing particularly, the systematic nature of the perturbation theoretic approach. The use of diagrammatic perturbation theory in the analysis of many techniques currently employed to handle correlation in molecules is briefly considered. The main emphasis of this review is on the computational aspects of diagrammatic perturbation theory. Programs written for serial computers are described and it is demonstrated that algorithms based on perturbation theory are both accurate and efficient. The importance of Wigner’s (2n+1) rule is noted. The impact of parallel processing computers on pertur- bative calculations is assessed. An outline of some current research on the application of diagrammatic perturbation theory to the correlation problem in atoms and molecules is presented.

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  1. Theoretical Chemistry Department, University of Oxford, 1 South Parks Road, Oxford, England

    S. Wilson

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  1. Max-Planck-Institute for Physics and Astrophysics, Garching, West Germany

    G. H. F. Diercksen

  2. Theoretical Chemistry Department, University of Oxford, Oxford, UK

    S. Wilson

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Wilson, S. (1983). Diagrammatic Many-Body Perturbation Theory. In: Diercksen, G.H.F., Wilson, S. (eds) Methods in Computational Molecular Physics. NATO ASI Series, vol 113. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-7200-1_11

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