Mathematical Methods for Evaluating Three-Body Interactions Between Closed-Shell Atoms or Ions

Abstract

The mathematical methods involved in the evaluation of three-body interactions between rare-gas atoms or alkali-halide ions with Gaussian type electron wavefunctions are outlined in first and second orders of perturbation theory. These methods are of general applicability for the analysis of many-center coulombic and exchange integrals occurring in problems of atomic and solid-state physics in which Gaussian functions can be used as a basis.