Pseudo-spectral dipole oscillator-strength distributions for SO2, CS2 and OCS and values of some related dipole—dipole and triple-dipole dispersion energy constants

Abstract

Pseudo-spectral dipole oscillator strengths and excitation energies, which are discrete representations of the original continuous dipole oscillator-strength distributions (DOSDs), are presented for the ground-state SO2, CS2 and OCS molecules. These pseudo-DOSDs, together with previously published pseudo-DOSDs, are used to evaluate the dipole—dipole and triple-dipole dispersion-energy coefficients for all the two- and three-body interactions between SO2, CS2 and OCS and between these molecules and H2, N2, O2, NO, N2O, H2O, NH3, CO, CO2, CH4, C2H6, C4H10 and C6H14, with an estimated uncertainty of 1–2%. The importance of results of this type is discussed briefly.