Comparison of Trajectory Outcomes for H\(_2\)~+~H\(_2\) using two Potential Energy Surfaces

Abid Afzal and M.E. Mandy

Chemistry Program University of Northern British Columbia

Molecular hydrogen is the dominant molecular species present in the interstellar medium and has an important role in the cooling of shocks that are associated with star formation. The two mechanisms of cooling are collisional dissociation and collisional excitation followed by quadrupole emission. Modelling the role of dissociation in this cooling needs detailed information on the state specific dissociation rate coefficients. The goal of this research is to compare the trajectory outcomes on the Hinde PES with those on the BMKP2 PES to assess whether it is required to do extensive and more expensive calculations on the Hinde PES to determine state specific rate coefficients for dissociation of H\(_2\)~+~H\(_2\) to supersede those previously determined with the BMKP2 surface.

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