The vibrational structure and predissociation of the B state of HeBr2 using a simple theoretical method

A computationally simple theoretical method, i.e., self-consistent field (SCF) method to determine the vibrational structure of HeBr2, distorted-wave Born (DWB) approximation for dissociating process, and the infinite-order sudden (IOS) approximation for the continuum dissociating product of Br2 (SCF–DWB–IOS), has been applied to the vibrational predissociation of the HeBr2 (B state) van der Waals (vdW) complex. The lifetimes of transient excited vibrational states, dissociation linewidths, and the rotational distributions of the product, Br2 have been computed. A comparison is made with other accurate theoretical and experimental results and reasonable agreement is found for the vibrational predissociaiton from the low vibrational states of HeBr2. The advantage and disadvantage of the methodology are also discussed.