VIBRATIONAL-STATES IN THE ELECTRONIC GROUND-STATE OF THE OH-HE AND OH+-NE COMPLEXES()

Two-dimensional potential energy functions for the electronic ground s tate of OH+-He and OH+-Ne have been generated by electronic structure calculations. The potential energy functions have been modified accord ing to an adiabatical correction scheme and used in variational calcul ations of vibrational energies. Dissociation energies D-0 have been ca lculated to be 360 (OH+-He) and 810 cm(-1) (OH+-Ne) for OH+ in its vib rational ground state and 416 and 974 cm(-1) in the vibrationally exci ted state, respectively. The large amplitude bending vibration agrees to within 10 cm(-1) with the experimental value. Predictions are made for further bound vibrational states. (C) 1998 American Institute of P hysics. [S0021-9606(98)00534-0].