New implementation of second-order Moller-Plesset perturbation theory with an analytic Slater-type geminal

The author introduces a new method for the exchange commutator integrals in explicitly correlated Moller-Plesset second order perturbation theory. The method is well suited with an analytic Slater-type geminal correlation factor. He also explains the scheme for auxiliary integrals needed for the correlation factor. Based on different Ansatze, he analyzes the performance of the method on correlation energies and reaction enthalpies in detail. (c) 2007 American Institute of Physics.