Converged calculations of vibrational energy transfer probabilities for the collision of two HF(v=1) molecules

We present converged quantum mechanical calculations of state-to-state transition probabilities for the collision of two hydrogen fluoride molecules with zero total angular momentum. The potential energy surface is obtained by adding a vibrational dependence to the interaction potential of Alexander and DePristo. We have calculated converged transition probabilities for vibration-to-vibration and vibration-to-translation-and-rotation energy transfer including full vibration-rotation coupling. The calculations include up to 948 coupled channels. Final production runs were carried out with a highly vectorized code on the Minnesota Supercomputer Institute's Control Data Corporation Cyber 205 computer.