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Improved low-temperature rate constants for rotational excitation of CO by H_2

M. Wernli·P. Valiron·A. Faure·L. Wiesenfeld·P. Jankowski·K. Szalewicz
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Abstract

Cross sections for the rotational (de)excitation of CO by ground state para- and ortho-H_2 are obtained using quantum scattering calculations for collision energies between 1 and 520 cm^{-1}. A new CO-H_2 potential energy surface is employed and its quality is assessed by comparison with explicitly correlated CCSD(T)-R12 calculations. Rate constants for rotational levels of CO up to 5 and temperatures in the range 5-70 K are deduced. The new potential is found to have a strong influence on the resonance structure of the cross sections at very low collision energies. As a result, the present rates at 10 K differ by up to 50% with those obtained by \citet{flower01} on a previous, less accurate, potential energy surface.

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M. Wernli, P. Valiron, A. Faure, L. Wiesenfeld, P. Jankowski, K. Szalewicz. 2006-01-18. Improved low-temperature rate constants for rotational excitation of CO by H_2. https://doi.org/10.1051/0004-6361%3A20053919

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