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Some Observations about the MOLSCAT
Authors:Mohit Kumar Sharma  Monika Sharma  Suresh Chandra
Institution:1.School of Studies in Physics, Jiwaji University, Gwalior 474011 (M.P.), India;2.Physics Department, Lovely Professional University, Phagwara 144411 (Punjab), India
Abstract:For calculation of cross sections for collisional transitions between rotational levels in a molecule, a computer code, MOLSCAT is available. For the transitions between rotational levels in H2CS due to collisions with He atom, we have calculated cross sections under the CS approximation, for example, for total energy 11 cm-1. The calculations have been done for the single energy 11 cm-1 and for ten combinations. We have found that the cross sections for the single energy 11 cm-1, differ from those in the first seven combinations, but are in agreement with those in the last three combinations. The reason for the difference in the results appears that the MOLSCAT uses the intermediate data of calculations for one energy, in the calculations for other energies. The agreement with the last three combinations may be understood that when the energy of combination is in the decreasing trend, the cross sections for the first (common) energy are equal. It may be suggested to run the MOLSCAT for a single energy at a time.
Keywords:ISM: molecules  collisional transitions  MOLSCAT  
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