CALCULATION OF THE ASYMPTOTIC INTERACTION AND MODELING OF THE POTENTIAL-ENERGY CURVES OF OH AND OH+

The semiempirical extended Hartree-Fock approximate correlation energy model is used to represent the first ten electronic states of the hyd roxyl radical, and the first two of the hydroxyl cation. Calculations of the asymptotic exchange energy, and of the leading C-6 dispersion e nergy coefficient, are also reported. Using this asymptotic informatio n, and existing spectroscopic RKR data or energies from ab initio elec tronic structure calculations to calibrate the model parameters, good quality potential energy curves are presented for all species consider ed.