Binary rototranslational hyper-Rayleigh spectra of H2–He gas mixture

The collision-induced rototranslational hyper-Rayleigh spectra of gaseous H2–He mixture are computed and discussed in the binary regime. As the input data we use our ab initio computed H2–He collision-induced first dipole hyperpolarizability tensor Δβ(R). Both the vector and the septor part of the H...

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Veröffentlicht in:The Journal of chemical physics 2009, Vol.131 (20)
Hauptverfasser: Godet, J.-L., Bancewicz, T., Głaz, W., Maroulis, G., Haskopoulos, A.
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Sprache:eng
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Zusammenfassung:The collision-induced rototranslational hyper-Rayleigh spectra of gaseous H2–He mixture are computed and discussed in the binary regime. As the input data we use our ab initio computed H2–He collision-induced first dipole hyperpolarizability tensor Δβ(R). Both the vector and the septor part of the H2–He hyper-Rayleigh spectra are evaluated at room temperature (T=295 K). The spectra are calculated assuming the full quantum computations based on the Schrödinger equation of the relative translational motion in the isotropic H2–He potential as well as using semiclassical methods.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3264691