SEMICLASSICAL WAVE-PACKET STUDY OF V-V ENERGY-TRANSFER IN HIGHLY VIBRATIONALLY EXCITED CO MOLECULES

Application of a semiclassical wave packet approach to the study of vi brational energy transfer in collision between highly vibrationally ex cited diatomic molecules is discussed. The method uses a quantum mecha nical description based on the solution to the time-dependent Schrodin ger equation to describe the vibrational motions and a classical mecha nical treatment for the rotational and translational motions. The quan tum and classical dynamics are coupled through an effective Hamiltonia n in which the classical degrees-of-freedom are propagated. The useful ness of the method is illustrated by computing rate coefficients for V -V energy transfer processes in CO-CO collisions in which one of the c ollision partners is kept in a very highly excited vibrational state. To the best of our knowledge, this is the first realistic dynamics stu dy in which vibrational level as high as upsilon = 40 is considered in V-V energy transfer processes in CO molecules.