A distorted wave calculation for electronic energy transfer in molecular collisions. Application to the N2(A 3Σu+)+CO(X 1Σ+) →N2(X 1Σg+) +CO(a 3Π) system
- 15 September 1979
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 71 (6) , 2477-2487
- https://doi.org/10.1063/1.438655
Abstract
The electronic energy transfer in collisions between two diatomic molecules at thermal energy is treated by a distorted‐wave type calculation. The predominating role of short‐range interactions is assumed. Potential energy curves and coupling terms have been estimated by configuration interaction between locally excited states. The method is applied to the system: N2(A 3Σ u +)+CO(X 1Σ+) →N 2(X 1Σ g +) +CO(a 3Π). The results are compared with the available experimental data. A general study of the dependence of the rate constants and cross sections on the energy gap and temperature is given. Finally a comparison with the golden‐rule model and other quantum mechanical approximate calculations is presented.Keywords
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