Classical calculations of rotational and vibrational excitation in energetic atom-diatomic hydride collisions

Classical rotational excitation probabilities for collisions of HF, HCl, and OH with three atomic species have been calculated in three dimensions using a Monte Carlo procedure. Results are presented for the rotational excitation of both rigid diatomic rotors and those coupled via a classical harmonic oscillator. Hard-sphere intermolecular potentials were employed to obtain results applicable to high-energy (≥ 1 eV) collisions.