Publication Abstracts

Green et al. 1994

Green, S., D.W. Schwenke, and W.M. Huo, 1994: Raman Q-branch line shapes as a test of H2-Ar intermolecular potential. J. Chem. Phys., 101, 15-19, doi:10.1063/1.468188.

The Le Roy-Hutson intermolecular potential for H2-Ar, which was derived from analysis of spectral data for the van der Waals complex and also shown to predict gas kinetic transport cross sections in good accord with experimental values, was subsequently found to provide rather poor predictions (small by nearly a factor of two) for vibrational Q-branch Raman line shift cross sections. More recently, an ab initio intermolecular potential for this system has been calculated and scaled to agree with the earlier one in the region of the minimum where the latter is expected to be accurate (D.W. Schwenke, et al., J. Chem. Phys. 98, 4738 [1993]). We show here that this potential predicts line shifts in much better accord with experiment (about 10% large), but in predictions for linewidths are significantly less satisfactory.

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BibTeX Citation

  author={Green, S. and Schwenke, D. W. and Huo, W. M.},
  title={Raman Q-branch line shapes as a test of H2-Ar intermolecular potential},
  journal={Journal of Chemical Physics},

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RIS Citation

ID  - gr00400a
AU  - Green, S.
AU  - Schwenke, D. W.
AU  - Huo, W. M.
PY  - 1994
TI  - Raman Q-branch line shapes as a test of H2-Ar intermolecular potential
JA  - J. Chem. Phys.
JO  - Journal of Chemical Physics
VL  - 101
SP  - 15
EP  - 19
DO  - 10.1063/1.468188
ER  -

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