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ABSTRACT

Green 1978

Green, S., 1978: Computational test of the infinite order sudden approximation for excitation of linear rigid rotors by collisions with atoms. Chem. Phys., 31, 425-431, doi:10.1016/0301-0104(78)85134-9.

The infinite order sudden approximation for excitation of linear rigid rotors by collisions with atom is tested by comparing integral state-to-state cross sections with accurate close coupling and coupled states results. The systems studied are HCl-Ar, HCl-He, CO-He, HCN-He, CS-H2 and OCS-H2. With the exception of diatomic hydrides (e.g., HCl) which have atypically large rotational constants the method is found to be very accurate to remarkably low collision energies. This approximation should generally be extremely useful for thermal energy collisions.

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