| Autor: |
Neshyba, S. P., Lynch, R., Gamache, R., Gabard, T., Champion, J.-P. |
| Předmět: |
|
| Zdroj: |
Journal of Chemical Physics; 12/1/1994, Vol. 101 Issue 11, p9412, 10p |
| Abstrakt: |
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 linewidths (up to J=8) is less than 6%, their distribution suggests the influence of interactions not described in the present theory. © 1994 American Institute of Physics. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
