THEORETICAL-STUDY OF MOLECULAR-STRUCTURE AND SPECTRA OF HNS

Using complete active space self-consistent field electronic wavefunctions the three-dimensional potential energy and electric dipole functions for the lowest two singlet and triplet states of HNS have been generated and used for the evaluation of the spectroscopic constants, anharmonic frequencies and radiative transition probabilities. The electronic excitation energies have been calculated by a multi-reference configuration interaction approach.