Self-Consistent Perturbation Theory. I. General Formulation and Some Applications

Abstract

The self‐consistent perturbation theory developed in an earlier paper is formulated more explicitly and applied to various types of perturbation: (i) one‐element change of the one‐electron Hamiltonian matrix (i.e., of Coulomb or resonance integral), (ii) uniform electric field, (iii) point charge near the system. The applications are to π‐electron systems, where the results have considerable chemical interest.