State-to-state quasi-classical trajectory study of the D + H$_2$ collision for high temperature astrophysical applications
2019
We report state-to-state quasi-classical trajectory (QCT) rate constants for the D + H2 reactive collision,
using the accurate H3 global potential energy surface of Mielke et al. [J. Chem. Phys. 116, 4142 (2002)].
High relative collision energies (up to 56; 000 K) and high rovibrational levels of H2 (up to 50; 000 K),
relevant to various astrophysical media, are considered. The HD product molecule is formed in highly excited
rovibrational states, over a wide collision energy range. The collision-induced dissociation channel (often
overlooked in fully quantum reaction dynamics calculations) is found to be significantly populated, even at
collision energies as low as 1500 K
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