J. Buldyreva et M. Chrysos, Semiclassical modeling of infrared pressure-broadened linewidths: A comparative analysis in CO2-Ar at various temperatures, J CHEM PHYS, 115(16), 2001, pp. 7436-7441
A novel semiclassical approach, which makes use of the exact trajectory imp
lemented within the Robert-Bonamy formalism, is employed for modeling infra
red pressure-broadened linewidths. As a prototype, the carbon dioxide molec
ule perturbed by argon is examined in the temperature range 160-760 K, for
which various measurements and computations are available. For a meaningful
comparison with previous theoretical works done with both semiclassical an
d quantum approaches, the ab initio intermolecular potential surface of Par
ker [J. Chem. Phys. 64, 1668 (1976)] is used. Our values are found to be in
agreement with up-to-date experimental data at all temperatures studied. (
C) 2001 American Institute of Physics.