Accurate collision-induced line-coupling parameters for the fundamental band of CO in He - Close coupling and coupled states scattering calculations

Details Accurate collision-induced line-coupling parameters for the fundamental band of CO in He - Close coupling and coupled states scattering calculations Accurate collision-induced line-coupling parameters for the fundamental band of CO in He - Close coupling and coupled states scattering calculations

Jan 1988

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1988jqsrt..39...33g&link_type=abstract

Journal of Quantitative Spectroscopy and Radiative Transfer (ISSN 0022-4073), vol. 39, Jan. 1988, p. 33-42.

Physics

33

Carbon Monoxide, Helium, Molecular Collisions, Scattering Cross Sections, Infrared Spectra, Molecular Rotation, Quantum Numbers, Vibrational Spectra, Wave Functions

Scientific paper

The first accurate theoretical values for off-diagonal (i.e., line-coupling) pressure-broadening cross sections are presented. Calculations were done for CO perturbed by He at thermal collision energies using an accurate ab initio potential energy surface. Converged close coupling, i.e., numerically exact values, were obtained for coupling to the R(0) and R(2) lines. These were used to test the coupled states (CS) and infinite order sudden (IOS) approximate scattering methods. CS was found to be of quantitative accuracy (a few percent) and has been used to obtain coupling values for lines to R(10). IOS values are less accurate, but, owing to their simplicity, may nonetheless prove useful as has been recently demonstrated.

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