Abstract

A method for the calculation of singlet and triplet excitation energies, ionization potentials, and electron affinities by the many-body Rayleigh-Schrödinger perturbation theory is elaborated. In this method the excitation energies, ionization potentials, and electron affinities are given by an infinite sum of terms, each of which may be interpreted using the diagrammatic technique. Application of this method to systems described by a π-electron PPP-Hamiltonian is carried out.

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