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Unravelling the stereodynamics of cold HD-H2 collisions

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arxiv 1806.07455 v1 pith:5KNPVTBF submitted 2018-06-19 physics.chem-ph

Unravelling the stereodynamics of cold HD-H2 collisions

classification physics.chem-ph
keywords angulardistributionexperimentmoleculesresultsscatteredstateattribute
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Measuring inelastic rates with partial wave resolution requires temperatures close to a Kelvin or below, even for the lightest molecule. In a recent experiment Perreault et al. [1] studied collisional relaxation of excited HD molecules in the v = 1, j = 2 state by para- and ortho-H2 at a temperature of about 1 K, extracting the angular distribution of scattered HD in the v = 1,j = 0 state. By state-preparation of the HD molecules, control of the angular distribution of scattered HD was demonstrated. Here, we report a first-principles simulation of that experiment which enables us to attribute the main features of the observed angular distribution to a single L = 2 partial-wave shape resonance. Our results demonstrate important stereodynamical insights that can be gained when numerically-exact quantum scattering calculations are combined with experimental results in the few-partial-wave regime.

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