Theoretical study on quantum dynamics for Ar-HF inelastic collision†.

The integral cross sections and rate constants of pure rotational and ro-vibrational energy transfer processes for the Ar-HF system are thoroughly studied by using the time-independent close coupling method based on our newly constructed potential energy surface. Compared to previous theoretical results, pure rotational transitions in this work achieve better agreement with the experimental data. For ro-vibrational energy transfer, it is found that quasi-resonant transitions dominate the cross sections in all cases. Furthermore, the vibrational-resolved rate constant of transition v=1→v=0 increases very quickly with the temperature from 100 K to 1500 K and is also in good agreement with the available experimental results. [ABSTRACT FROM AUTHOR]