• Symmetry-adapted many-body perturbation theory: use of the wave operator matrix elements

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      https://www.ias.ac.in/article/fulltext/pram/013/05/0535-0544

    • Keywords

       

      Many-body perturbation theory; atoms; molecules; perturbation theory; linear operator equation; wave operator; matrix elements

    • Abstract

       

      In this paper we develop a simple method for adapting the closed-shell many-body perturbation theory to an arbitrary point group symmetry taking account of various classes of diagrams exactly to all orders. The method consists in deriving a linear operator equation for the closed-shell wave-operatorW which is then symmetry-adapted to the pertinent point groupG. It is shown that the system of equations thus derived enables one to include orbital-diagonalh-h, p-p andh-p ladders to all orders in a perturbative framework. The way to generalise the method through inclusion of a larger classes of diagrams to all orders is also indicated. Finally, the connection of the present mode of development with the non-perturbative coupled-cluster formalisms is briefly indicated.

    • Author Affiliations

       

      Debashis Mukherjee1 Dipan Bhattacharyya2

      1. Theory Group, Department of Physical Chemistry, Indian Association for the Cultivation of Science, Calcutta - 700 032
      2. Nuclear Reactions Section, Tata Institute of Fundamental Research, Bombay - 400 005
    • Dates

       
  • Pramana – Journal of Physics | News

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