Isotropic and anisotropic collision-induced light scattering spectra of krypton gas simultaneously fitted by ground state interatomic potential

Abstract

Isotropic and anisotropic binary collision-induced light scattering spectra of gaseous krypton obtained at room temperature are analyzed in terms of different interatomic potentials, both reference and recent, and trace and anisotropy models of interaction-induced polarizability. The spectral intensities obtained numerically at low frequencies are determined by bound and free transitions. At intermediate and high frequencies, the spectra are sensitive to both the attractive part of the potential and to short-range values of the trace or anisotropy. An empirical interatomic potential for the krypton gas interaction is developed by simultaneously fitting the Barker et al. (BFW) and modified Tang-Toennies (MTT) potentials to thermophysical and transport properties over a wide temperature range. The quality of the present potentials was checked by comparison between the calculated and experimental vibrational energy levels. The results show that these are the most accurate potentials reported to date for this system, both for the reproduction of spectral line shapes and spectral moments.