The optimization of potential energy surface parameters for the CsCl + RbI system with the use of linear regression analysis

The influence of interaction potential parameters of likely charged ions on cross sections of various channels of a reaction of a pair of diatomic molecules with ionic bonds was studied in terms of quasi-classical trajectory simulation with the use of linear mean-square regressions. In the regression approach, the dependence of the cross section of a given reaction channel on potential parameters at each fixed collision energy is approximated by a linear function. We determined the region of softness parameters of the Cs⁺-Rb⁺ and Cl⁻-I⁻ interaction potentials. This region was optimum for the reproduction of experimental excitation functions of atomic and complex positive ions for the CsCl + RbI → products reaction.