Quantum-dynamical study of the translational-vibrational energy transfer in the collinear collisions of atoms with triatomic molecules

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Abstract
A quantum-dynamical method is described for investigating the translational-vibrational energy transfer that occurs in the collinear collision of an atom with a linear triatomic molecule. The technique is applied to the computation of vibrational transition probabilities for the collinear collisions of helium atoms with CO2, OCS and HCN over a range of energies. Realistic potentials are used for the triatomic molecules while simple exponential or Morse potentials are used to describe the helium-molecule interaction. The effects of varying the atomic masses and the potential function parameters are examined. It is found, that the symmetric stretch vibrational modes of CO2, OCS and HCN are preferentially excited (or relaxed), by collision with the atom, over the asymmetric stretch modes.