A simple semi-empirical procedure for determining the parameters in the MO LCAO method

A simple method is described for evaluating the exchange and Coulomb integrals with account for the change in the properties of the atoms on entry into a molecule. Generalizations of Slater's rule permit the calculation of the ionization potentials of atoms in a molecule which make the main contribution to the Coulomb integrals. Analytical expressions are given for the Coulomb integrals in the -function approximation.I am indebted to N. A. Prilezhaeva and V. I. Danilova for their continuous interest in the work.