Theoretical studies of vibrational relaxation of iodine in low density liquid xenon

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Abstract
Preliminary results of generalized Langevin and isolated binary collision (IBC) calculations for vibrational relaxation of iodine in low density liquid xenon are presented. Simple generalized Langevin simulations, using equilibrium xenon as a model solvent, fail to reproduce molecular dynamics vibrational relaxation data. This is explained, at least in part, by noting that the iodine vibrational motion perturbs the local solvent, with this perturbation resulting in dissipation of energy. Simple isolated binary collision models qualitatively reproduce molecular dynamics relaxation behaviour. However, the collision rate determined by fitting isolated binary collision data to molecular dynamics data seems unreasonably high, which may indicate the importance of correlated collisions and many body interactions which are ignored in the IBC model