Publication Abstracts

Green 1990

Green, S., 1990: Theoretical line shapes for rotational spectral of HCl in Ar. J. Chem. Phys., 92, 4679-4685, doi:10.1063/1.457736.

An interaction potential for HCl-Ar recently derived from spectra of van der Waals complexes [J.M. Hutson, J. Chem. Phys. 89, 4550 (1988)] has been used to obtain converged close-coupling scattering S matrices from which pressure broadening (linewidth, line shift, and line coupling) cross sections have been computed within the Fano-Ben-Reuven formalism. Linewidths agree well with experimental data with the exception of the 0-1 line at low temperatures (an error of about 15% at 125 K). Line shifts, especially the largest, for the 0-1 line, are also in reasonable accord with experimental data. Line coupling is predicted to be quite small. The coupled-states molecular scattering approximation is found to be accurate except at very low collision energies. The infinite-order sudden approximation, on the other hand, is not reliable for this system. Inelastic scattering out of the spectroscopic levels accounts for only a fraction of the linewidth at thermal energies, especially in the lower rotational levels.

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BibTeX Citation

  author={Green, S.},
  title={Theoretical line shapes for rotational spectral of HCl in Ar},
  journal={J. Chem. Phys.},

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RIS Citation

ID  - gr07200r
AU  - Green, S.
PY  - 1990
TI  - Theoretical line shapes for rotational spectral of HCl in Ar
JA  - J. Chem. Phys.
VL  - 92
SP  - 4679
EP  - 4685
DO  - 10.1063/1.457736
ER  -

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