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H2 -He collisions: Ab initio theory meets cavity-enhanced spectra

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Fully quantum ab initio calculations of the collision-induced shapes of two rovibrational ${\mathrm{H}}_{2}$ lines perturbed by He provide an unprecedented subpercent agreement with ultra-accurate cavity-enhanced measurements. This level of consistency… Click to show full abstract

Fully quantum ab initio calculations of the collision-induced shapes of two rovibrational ${\mathrm{H}}_{2}$ lines perturbed by He provide an unprecedented subpercent agreement with ultra-accurate cavity-enhanced measurements. This level of consistency between theory and experiment hinges on a highly accurate potential energy surface and a realistic treatment of the velocity changing and dephasing collisions. In addition to the fundamental importance, these results show that ab initio calculations can provide reference data for spectroscopic studies of planet atmospheres at the required accuracy level and can be used to populate spectroscopic line-by-line databases.

Keywords: theory meets; cavity; initio theory; cavity enhanced; collisions initio; meets cavity

Journal Title: Physical Review A
Year Published: 2020

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