Exact classical calculations of vibrational energy transfer in a Morse oscillator

Abstract

Exact energy transfer in the collinear collision of a Morse oscillator with a particle is calculated from the numerical integration of the classical equations of motion over a wide range of collision energies. The exact classical energy transfer values are compared with those of the harmonic oscillator case for several different types of collisions. Except for the collisions involving a heavy homonuclear diatomic molecule and a light incident particle, the Morse energy transfer values are seriously different from the harmonic case. The time dependence of energy transfer during the collision especially at high collision energies is studied in detail to obtain information on the occurrence of multiple impacts in each collision. The deviation of the harmonic energy transfer from the Morse values is discussed in terms of the impact multiplicity.