DECOMPOSITION OF LINE-BROADENING CALCULATIONS INTO STATE-TO-STATE TERMS*

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1992

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Ohio State University

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Computer programs designed to calculate pressure broadening by the QFT-ID formulation of Gamache and Davies were modified to calculate individual state-to-state and elastic contributions to the total halfwidth. The calculations were applied to the case of ozone broadened by nitrogen. It is shown that the elastic contribution to the calculated halfwidth is negligible. State-to-state inelastic terms are analyzed for $\Delta$J, $\Delta$$K_{a}$ and energy gap dependence in to order to describe rotational relaxation propensity rules- Results are compared with inelastic rates determined from time-resolved four-level IR-IR double resonance experiments.

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*Work supported by NASA Grant NAGW-1667.
Author Institution: Department of Chemistry, MIT; University of Massachusetts Lowell, Center for Atmospheric Reasarch

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http://hdl.handle.net/1811/12795

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1990-1999