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PRESSURE-INDUCED WIDTHS AND SHIFTS FOR THE $\mathcal{V}_{3}$ BAND OF METHANE

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/29848

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Title: PRESSURE-INDUCED WIDTHS AND SHIFTS FOR THE $\mathcal{V}_{3}$ BAND OF METHANE
Creators: Neshyba, S. P.; Lynch, R.; Gamache, Robert R.; Gabard, T.; Champion, J. P.
Issue Date: 1995
Abstract: Widths and shifts of methane lines perturbed by Nitrogen are calculated using a complex - valued implementation of Robert-Bonamy (RB) theory. The static intermolecular potential is described as a sum of electrostatic forces and Lennard-Jones (6-12) atom-atom terms, using literature values for all physical parameters. Vibrational dependence of the isotropic potential is obtained from the polarizability of methane assuming a dispersion interaction. The repulsive part of the Lennard-Jones accounts for the greatest part of widths, while dispersion interactions are largely responsible for shifts. Although the average error between calculated and observed line widths (up to J=8) is less than 6%, their distribution suggests the influence of interactions not described in the present theory. The temperature dependence of the widths were also calculated and compared with experiment and show a shift relative to the experimental values.
URI: http://hdl.handle.net/1811/29848
Other Identifiers: 1995-TI-15
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