Fock potentials. II. Atomic potentials and intra-atomic electronic interactions

The expressions for atomic potentials obtained from Slater basis functions are presented. Angular and radial factors are separated, and short- and long-range terms are identified. Long-range terms are retained, and a simplified (but faithful) representation of the short-range terms is analyzed. The interactions between charge distributions placed on the same atom and both types of terms are also presented. Finally, the theoretical developments are tested on several atomic calculations and the advantages of this approach in order to calculate the electronic structure of large molecules are pointed out.