Intermolecular polarizabilities in H2-rare-gas mixtures (H2–He, Ne, Ar, Kr, Xe): Insight from collisional isotropic spectral properties

摘要: The report presents results of theoretical and numerical analysis the electrical properties related to isotropic part polarizability induced by interactions within compounds built up a hydrogen H2 molecule set noble gas atoms, Rg, ranging from least massive helium heaviest xenon perturber. Cartesian components collisional polarizabilities H2–Rg systems are found means quantum chemistry methods their dependence on intermolecular distance is determined. On basis these data, spherical, symmetry adapted trace derived in order provide data sets that convenient for evaluating spectral profiles polarized light scattered mixtures. Three independent computing intensities applied at room temperature (295 K). roto-translational obtained discussed determine role played contributions corresponding each parts polarizability. By spreading over collection systems, evolution with growing masses supermolecular can be observed.