Ма et al. expression [J. Mol. Spectrosc. 243, 105-112 (2007)] for vibrational shift of spectral lines in the frame of the semi classical RB theory with the using approximation of exact trajectories was tested for O3-N2(O2) molecular system. Vibration depended isotropic interaction potentials were modeled for ν1+ ν3, 2ν1, 2ν3, ν1 and ν3 bands of both systems. Calculated shift coefficients of O3-N2 lines have been compared with theoretical results obtained by semi-empirical method [Bykov et al., Mol. Phys. 102, 1653-1658 (2004)] for ν1 + ν3 band.
molecular spectroscopy, line shape, intermolecular interactions, exact trajectories