# VIBRATION-ROTATION LINE SHAPES FOR $^{1}\Sigma_{g}{^{+}}H_{2}(v,J)-^{1}\Sigma_{o}$ He COMPUTED VIA CLOSE-COUPLING: TEMPERATURE- DENSITY DEPENDENCE

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 Title: VIBRATION-ROTATION LINE SHAPES FOR $^{1}\Sigma_{g}{^{+}}H_{2}(v,J)-^{1}\Sigma_{o}$ He COMPUTED VIA CLOSE-COUPLING: TEMPERATURE- DENSITY DEPENDENCE Creators: Hahne, G. E.; Chackerian, C., Jr. Issue Date: 1979 Publisher: Ohio State University Abstract: The shift and pressure broadening due to helium of the fundamental and overtones of certain of the $H_{2}$ isotropic Raman, and quadrupole-absorption, vibration-rotation transitions were $obtained^{2}$ via S-matrix elements which were computed using close-coupling and semi-classical techniques. S-matrix elements were computed using an ab initio system $potential^{1}$ with the range in relative kinetic energies of $10-1000 cm^{-1}$ and up to fifty partial waves. The S-matrix elements were incorporated into a theoretical $expression^{2}$ for the line shape which was thermally averaged to obtain results. The calculated isotropic Raman $Q_{1}(1)$ line shift at room temperature is in excellent agreement with experiment. The results of these calculations, along with very high resolution laboratory measurements to be done, should provide a stringent test of the potential surface. Description: $^{*}$N.R.C. Post-doctoral Fellow. $^{1}$Andrew W. Raczkowski and William A. Lester. JR., Chem. Phys. Letters 47, 45 (1977). $^{2}$Richard Shafer and Roy Gordon, J. Chem. Phys. 58, 5422 (1973). Author Institution: URI: http://hdl.handle.net/1811/11020 Other Identifiers: 1979-TE-04