%0 Journal Article %1 publ9383364 %A Banks, A. J. %A Clary, D. C. %A Werner, H.‐J. %D 1986 %J J. Chem. Phys. %K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem %N 7 %P 3788–3797 %R 10.1063/1.450089 %T Vibrational relaxation of N⁺ by collision with He atoms %U http://dx.doi.org/10.1063/1.450089 %V 84 %X A quantum mechanical study of vibrational relaxation in the collision of N₂ with 3He and 4He is reported. An ab initio potential energy surface has been computed using the coupled electron pair approximation with an extended basis set. Cross sections for v=1 → 0 vibrational relaxation have been calculated on this surface by using the centrifugal sudden approximation (CSA). The calculated vibrational relaxation rate coefficients show a very encouraging agreement with those measured in laser fluorescence experiments for the temperature range 82–291 K. Over this temperature range the rate coefficients increase by a factor close to 100. The CSA computations are also used to test the accuracy of the vibrational close coupling, rotational infinite order sudden, and the breathing sphere approximations.

@article{publ9383364, abstract = {A quantum mechanical study of vibrational relaxation in the collision of N₂ with 3He and 4He is reported. An ab initio potential energy surface has been computed using the coupled electron pair approximation with an extended basis set. Cross sections for v=1 → 0 vibrational relaxation have been calculated on this surface by using the centrifugal sudden approximation (CSA). The calculated vibrational relaxation rate coefficients show a very encouraging agreement with those measured in laser fluorescence experiments for the temperature range 82–291 K. Over this temperature range the rate coefficients increase by a factor close to 100. The CSA computations are also used to test the accuracy of the vibrational close coupling, rotational infinite order sudden, and the breathing sphere approximations.}, added-at = {2019-03-01T15:49:43.000+0100}, author = {Banks, A. J. and Clary, D. C. and Werner, H.‐J.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/29b3f1d2acbc474432b2d151f7b1afcba/theochem}, doi = {10.1063/1.450089}, interhash = {eca2cfb068ffe0eadc3fad6f6b64f203}, intrahash = {9b3f1d2acbc474432b2d151f7b1afcba}, issn = {0021-9606}, journal = {J. Chem. Phys.}, keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem}, number = 7, pages = {3788–3797}, timestamp = {2019-03-01T14:49:43.000+0100}, title = {{Vibrational relaxation of N⁺ by collision with He atoms}}, url = {http://dx.doi.org/10.1063/1.450089}, volume = 84, year = 1986 }