Reduced Green’s functions and perturbed Hartree–Fock calculations. I. Formulation of the theory
- 15 November 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 65 (10) , 4210-4217
- https://doi.org/10.1063/1.432828
Abstract
A diagrammatic analysis is developed to implement the derivation of a set of integral equations for first‐order coupled perturbed Hartree–Fock orbitals in the presence of a one‐particle perturbation. A general formulation is given in terms of an arbitrary, but well characterized, reduced one‐particle Green’s function so that the difficulties of either obtaining a sufficiently complete set of virtual orbitals or of using an explicit form of the reduced Green’s function corresponding to the Fock operator are obviated.Keywords
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