Statistics – Computation
Scientific paper
Apr 1985
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1985jqsrt..33..299g&link_type=abstract
Journal of Quantitative Spectroscopy and Radiative Transfer (ISSN 0022-4073), vol. 33, April 1985, p. 299-305.
Statistics
Computation
11
Argon, Carbon Monoxide, Electron Gas, Potential Energy, Pressure Broadening, Spectral Line Width, Collision Parameters, Energy Transfer, Molecular Rotation, Quantum Mechanics, Scattering Cross Sections
Scientific paper
Calculations of the pressure-broadening cross sections of CO in Ar have been made within the infinite-order sudden (IOS) and coupled states (CS) quantum scattering approximations. Two intermolecular potentials were used, a pairwise additive atom-atom potential which has been employed previously in semiclassical (modified Anderson theory) studies of this system and one calculated ab initio within an electron gas formalism. Predictions from the two potentials generally agree within about 25 percent and bracket experimental values (except for some recent high temperature data obtained in shock tube experiments). The CS approximation appears to be quite accurate although computationally expensive. The much cheaper IOS approximation is accurate for the J = 0-1 line but does not properly predict the dependence on line number. The quantum results are also compared with earlier semiclassical values.
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