Uncoupled and coupled Hartree–Fock calculations of dipole polarizabilities of condensed hydrocarbons

Abstract

Uncoupled and coupled Hartree–Fock perturbation theories are employed to calculate the electric dipole polarizabilities of condensed hydrocarbons in the framework of the Pariser–Parr–Pople approximation. An empirical way of taking into account σ-effects is studied. Agreement between calculated and experimental results is remarkably good.