Knowledge Bank

A semiempirical portential energy surface for Kr-HS van der Waals type molecule will be presented. The nature of the PES is similar to that proposed for Ar-HO by Bowman and co-workers [1]. The parameters in the Ar-HO surface was modified using an efficient nonlinear fit program to agree with experimental measurement for Kr-HS molecule by Miller and co workers [2]. The calculated results will be reported along with comparisons with the experimental results of Miller and co-workers. Quantitative insights into the interaction potentials for similar systems will be discussed.