Ro-vibrational excitation of SiS by He

被引:18
|
作者
Tobola, R. [1 ]
Lique, F. [2 ,3 ,4 ]
Klos, J. [2 ]
Chalasinski, G. [1 ,5 ]
机构
[1] Univ Warsaw, Fac Chem, PL-02093 Warsaw, Poland
[2] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA
[3] Observ Paris, LERMA, F-92195 Meudon, France
[4] Observ Paris, CNRS, UMR 8112, F-92195 Meudon, France
[5] Oakland Univ, Dept Chem, Rochester, MI 48309 USA
关键词
D O I
10.1088/0953-4075/41/15/155702
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Modelling of the astrophysical spectra requires accurate radiative and collisional rates for species of astrophysical interest. The present paper focuses on the calculation of ro-vibrational excitation rate coefficients of SiS by He, useful for studies of high-temperature interstellar . A new accurate three-dimensional potential energy surface for the SiS-He system, which explicitly takes into account the r-dependence of the SiS vibration, was determined from ab initio calculations. The dynamic calculations were performed using the vibrational close-coupling rotational infinite order sudden (VCC-IOS) method. Cross sections among the first 100 rotational levels of v = 0-4 are calculated for total energies up to 12 000 cm(-1). Rate coefficients between the ro-vibrational levels are calculated for temperatures from 300 K to 1500 K.
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页数:8
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