Multidimensional many-body theory: Diagrammatic implementation of a canonical van Vleck formalism
- 15 February 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 76 (4) , 1938-1948
- https://doi.org/10.1063/1.443167
Abstract
A size-extensive multidimensional many-body theory is developed from an order-expanded van Vleck transformation. This provides an effective Hamiltonian in a model space consisting of a set of determinants whose zeroth-order energies may be nondegenerate. Expressions for the effective Hamiltonian in terms of the perturbation and a set of resolvents generalized from the Rayleigh–Schrödinger form are given. Perturbative evaluation of the resultant formulas via diagrammatic expansion is illustrated and discussed. The diagrams required through second order for a model space consisting of a Hartree–Fock solution plus selected singly and doubly excited determinants are presented, and their relation to those employed in the method of Hose and Kaldor is discussed.Keywords
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