Stereodynamics of rotationally inelastic scattering in cold He + HD collisions

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Abstract

Stereodynamics of cold collisions has become a fertile ground for sensitive probe of molecular collisions and control of the collision outcome. A benchmark system for stereodynamic control of rotational transition is He + HD. This system was recently probed experimentally by Perreault et al. by examining quenching from j = 2 to j′ = 0 state in the v = 1 vibrational manifold of HD. Here, through explicit quantum scattering calculations on a highly accurate ab initio interaction potential for He + H2, we reveal how a combination of two shape resonances arising from l = 1 and l = 2 partial waves controls the stereodynamic outcome rather than a single l = 2 partial wave attributed in the experiment. Furthermore, for collision energies below 0.5 cm-1, it is shown that stereodynamic preference for the integral cross section follows a simple universal trend.

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Morita, M., & Balakrishnan, N. (2020). Stereodynamics of rotationally inelastic scattering in cold He + HD collisions. Journal of Chemical Physics, 153(9). https://doi.org/10.1063/5.0022190

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