Calculation of the potential energy of the interaction of an electron with a molecule

We set forth a mathematically correct algorithm, simple in computer realization, for calculation of the potential energy of the interaction of an electron with a molecule and for the calculation of electric 2^L-pole molecular moments in the framework of the Hartee-Fock-Roothaan method. The proposed method permits consideration of the dynamics of the problem of the dependence of the energy on oscillatory motion in the molecule.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 30–33, August, 1987.