Koszykowski, M. L. and Marcus, R. A. (1978) Collisional broadening and spectral line shape of an entire rotational band. Journal of Chemical Physics, 68 (3). pp. 1216-1220. ISSN 0021-9606. doi:10.1063/1.435812. https://resolver.caltech.edu/CaltechAUTHORS:20120803-072601444
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Abstract
The impact approximation is applied to the classical binary collision operator making it possible to derive an expression for the dipole correlation function for real systems in a form which is computationally tractable and contains no adjustable parameters. Trajectory calculations are performed (in order to evaluate the microscopic expression for the relaxation parameter in the correlation function) for the system CO in dense Ar gas. Comparison is made with experimental data and excellent agreement is found for certain densities when a quantum correction is included. At higher densities (i.e., ρ^(−1/3)< "the range of the potential") one approximation is not valid and comparison with experiment illustrates this point.
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| Additional Information: | © 1978 American Institute of Physics. Received 16 June 1977. Online Publication Date: 11 August 2008. We are indebted to Prof. D. Chandler for many helpful discussions. We would also like to thank Dr. D. Noid for discussions on numerical methods. This research was supported by a grant from the National Science Foundation. | |||||||||
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| Issue or Number: | 3 | |||||||||
| Classification Code: | PACS: 33.70.Jg, 32.70.Jz | |||||||||
| DOI: | 10.1063/1.435812 | |||||||||
| Record Number: | CaltechAUTHORS:20120803-072601444 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20120803-072601444 | |||||||||
| Official Citation: | Collisional broadening and spectral line shape of an entire rotational band M. L. Koszykowski and R. A. Marcus J. Chem. Phys. 68, 1216 (1978); http://dx.doi.org/10.1063/1.435812 | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 32902 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Ruth Sustaita | |||||||||
| Deposited On: | 03 Aug 2012 14:56 | |||||||||
| Last Modified: | 09 Nov 2021 21:30 |
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