Multiconfigurational Hartree–Fock response functions

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Abstract
The linear, quadratic, and cubic response of a multiconfigurational Hartree–Fock state to a time independent one‐electron perturbation has been derived. A comparison between the exact response functions as obtained from Rayleigh–Schrödinger perturbation theory and the multiconfigurational Hartree–Fock response functions allows a identification of matrix elements of the perturbation operator between the ground and excited states and between excited states. We discuss some ambiguities which result from such an identification.