Physics
Scientific paper
Dec 2006
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2006phdt........37l&link_type=abstract
PhD Thesis, Observatoire de Meudon, 2006, 269 pages.
Physics
Quantum Chemistry, Radiative Transfer, Van Der Waals Systems, Interstellar Medium
Scientific paper
Modeling of the observational spectra requires collisional rates with the most abundant species (He, H2). The present thesis focuses on the calculation of new rate coefficients in collision with He of SO and CS for temperatures ranging from 5 to 1500K. New 2D and 3D potential energy surfaces for the SO-He and CS-He systems are obtained with accurate ``coupled clusters" methods. For the dynamics calculations, an hybrid approach combining close coupling and IOS methods have been used. These new coefficients differ significantly from previously published ones. We also present ro-vibrational rate coefficients : the ro-vibrational rate coefficients are three orders of magnitude lower than those of the rotational excitation. The new rate coefficients were included in radiative transfer models : in the interpretation of SO or CS molecular emission, the use of these new rates could lead to important differences on the density, abundance and temperature structure of molecular clouds.
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