Studies on the potential energy curves of hydride diatomic molecules using energy consistent method

Abstract

By using QCISD/6-311G（d）method, the ground state of SO-2, and its energy, harmonic frequencies, force constants have been calculated. The calculated results are in good agreement with the experimental ones. The analytical potential energy function of SO-2 has been derived based on the many-body expansion theory. The structure and energy of SO-2 can correctly reappear on the potential surface.