Theoretical integral cross sections for the reaction over a range of collision energies, together with time-independent quantum mechanical (TIQM) values at collision energy and (Ref. 20). The dashed lines with open circles represent the TIQM results, and the dotted lines indicate the single-surface calculations based on the adiabatic ground state of DMBE PES while the solid lines are the results from two coupled diabatic surfaces.
Experimental and theoretical relative distributions for the reaction . Dashed lines with open circles and error bars represent the experimental results (Ref. 20), and dotted lines indicate the single-surface calculations while solid lines are the results from two coupled diabatic surfaces.
The differences of mean rotational energies for HD as a function of collision energy; one is between two sets of calculations, the other is between experiment and single-surface calculations (see text). The solid line and open circles correspond to the former difference, and the dashed line with open stars corresponds to the latter one.
Integral cross sections for ; up and down panels correspond to collision energy and , respectively. The dotted lines with open circles indicate the single-surface calculations, while the solid lines and crosses are the results from two coupled diabatic surfaces.
Comparison between the one-surface (in dotted) and two-surface (in solid) results as a function of collision energy over the energy range for the reaction . (a) Zero-total angular momentum total reaction probabilities; (b) integral cross sections.
Results for the reaction calculated as a function of collision energy on two coupled diabatic surfaces over the energy range . The dotted line corresponds to results obtained with the wave packet initialized in , the dashed line to those initialized in , and the solid line to the sum of the previous two. (a) Zero-total angular momentum total reaction probabilities; (b) integral cross sections.
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