POLARIZATION GREEN-FUNCTION WITH MULTICONFIGURATION SELF-CONSISTENT-FIELD REFERENCE STATES

The polarization Green's‐function formalism in the superoperator notation of Goscinski and Lukman is re‐derived using a multiconfiguration self‐consistent‐field (MC‐SCF) reference state to establish the superoperator metric. The potential advantages of employing this more general reference state in Green's‐function theories and certain inherent weaknesses associated with the traditional Hartree–Fock or Rayleigh–Schrödinger perturbation theory reference state choices are briefly discussed. The Hermiticity of the superoperators is analyzed within the framework of the MC–SCF reference state. Using a concept of order appropriate for this reference state choice, explicit formulas and computational procedures for the implementation of this Green's‐function theory are presented and specialized to include terms consistent through second order. Copyright © 1979 John Wiley & Sons, Inc.