Improved low-temperature rate constants for rotational excitation of CO by H2
M. Wernli, P. Valiron, A. Faure, L. Wiesenfeld, P. Jankowski, K. Szalewicz
Abstract
Cross sections for the rotational (de)excitation of CO by ground state para- and ortho-H2 are obtained using quantum scattering calculations for collision energies between 1 and 520 cm-1. A new CO-H2 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 flower01 on a previous, less accurate, potential energy surface.
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