Vibrational states in the electronic ground state of the OH+-He and OH+-Ne complexes

Two-dimensional potential energy functions for the electronic ground state of OH+-He and OH+-Ne have been generated by electronic structure calculations. The potential energy functions have been modified according to an adiabatical correction scheme and used in variational calculations of vibrational energies. Dissociation energies D-0 have been calculated to be 360 (OH+-He) and 810 cm(-1) (OH+-Ne) for OH+ in its vibrational ground state and 416 and 974 cm(-1) in the vibrationally excited 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 Physics. [S0021-9606(98)00534-0].