Long range interaction energies using Gaussian basis sets and a one center method

A one center method, based on the work of Karplus and Kolker, is discussed and used to calculate the induction energy, through O(R^?8), for the H(ls) – H⁺ interaction employing two types of Gaussian basis sets constructed from functions of the form {r^je^?αr2}. The effective hydrogen atom excitation energies and transition multipole moment matrix elements generated in these calculations are used to calculate the dispersion energy for the H(ls) – H(ls) interaction, through O(R^?10), and the R^?9 triple dipole energy corresponding to the interaction of three H(ls) atoms. The results indicate that Gaussian functions can form good basis sets for obtaining long range forces for a variety of multipole interaction energies.