Quasiclassical trajectory calculations of the transition probability function in the vibrational relaxation of HgBr (B 2Σ, v=52) by monoatomic gases

Abstract

The collisional deactivation of HgBr(B 2Σ) by He, Ar and Xe has been studied using quasiclassical trajectory calculations. HgBr was initially vibrationally excited in v=52. The transition probabilities for He and Ar show a double exponential behaviour, while for Xe they are well described by the addition of a Gaussian and an exponential function. The results are analyzed according to the number of turning points during the collision. For Xe as deactivating gas, the transition probabilities for direct encounters are also represented by the sum of an exponential and a Gaussian function. More complex encounters show relatively lower probabilities for the transference of small amounts of energy. However, the probability of supercollisions does not present any significant dependence on the complexity of the encounter.