Calculated isotropic Raman spectra from interacting H2-rare-gas pairs
Résumé
We report on a theoretical study of the H2–He and H2–Ar pair trace-polarizability and the corresponding isotropic Raman spectra. The conventional quantum mechanical approach for calculations of interaction-induced spectra, which is based on an isotropic interaction potential, is employed. This is compared with a close-coupling approach, which allows for inclusion of the full, anisotropic potential. It is established that the anisotropy of the potential plays a minor role for these spectra. The computed isotropic collision-induced Raman intensity, which is due to dissimilar pairs in H2–He and H2–Ar gas mixtures, is comparable to the intensities due to similar pairs (H2–H2, He–He, and Ar–Ar), which have been studied previously.