Improved low-temperature rate constants for rotational excitation of CO by H2

被引:90
|
作者
Wernli, M
Valiron, P
Faure, A
Wiesenfeld, L
Jankowski, P
Szalewicz, K
机构
[1] Univ Grenoble 1, OSUG, CNRS, Lab Astrophys Grenoble,UMR 5571, F-38041 Grenoble, France
[2] Nicholas Copernicus Univ, Inst Chem, Dept Quantum Chem, PL-87100 Torun, Poland
[3] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA
基金
美国国家科学基金会;
关键词
molecular data; molecular processes; ISM : molecules;
D O I
10.1051/0004-6361:20053919
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
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 Flower ( 2001) on a previous, less accurate, potential energy surface.
引用
收藏
页码:367 / U35
页数:8
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