New program for molecular calculations with Slater-type orbitals

A new program for computing all the integrals appearing in molecular calcul ations with Slater-type orbitals (STO) is reported. This program follows th e same philosophy as the reference pogram previously reported but introduce s two main changes: Local symmetry is profited to compute all the two-elect ron integrals from a minimal set of seed integrals, and a new algorithm rec ently developed is used for computing the seed integrals. The new code redu ces between one and two orders of magnitude the computational cost in most polyatomic systems. (C) 2001 John Wiley & Sons, Inc.