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| - Coriolis-Coupled Wave Packet Dynamics of H + HLi Reaction
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| - We investigated the effect of Coriolis coupling (CC) on the initial state-selected dynamics of H + HLi reactionby a time-dependent wave packet (WP) approach. Exact quantum scattering calculations were obtained by aWP propagation method based on the Chebyshev polynomial scheme and ab initio potential energy surfaceof the reacting system. Partial wave contributions up to the total angular momentum J = 30 were found tobe necessary for the scattering of HLi in its vibrational and rotational ground state up to a collision energy∼0.75 eV. For each J value, the projection quantum number K was varied from 0 to min (J, Kmax), with Kmax= 8 until J = 20 and Kmax = 4 for further higher J values. This is because further higher values of K do nothave much effect on the dynamics and also because one wishes to maintain the large computational overheadfor each calculation within the affordable limit. The initial state-selected integral reaction cross sections andthermal rate constants were calculated by summing up the contributions from all partial waves. These werecompared with our previous results on the title system, obtained within the centrifugal sudden and J-shiftingapproximations, to demonstrate the impact of CC on the dynamics of this system.
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