Model potential functions of nonlinear XY 2 molecules

Abstract

Several simple anharmonic potential functions with a moderate number of adjustable parameters were considered for nonlinear XY 2 molecules. The ability of these functions to reproduce the general valence for field was tested by illustrative calculations for H 2O, D 2O, SO 2, H 2S, O 3, NO 2 and ClO 2. Evidence is presented that the diatomic model approach, which effectively reduces the number of adjustable parameters, is a reasonable approximation when a complete set of spectroscopic data is not available.