Search results for "Semiclassical calculations"

Calculated Line Broadening Coefficients in the nu2 Band of CH3D Perturbed by Helium

2003

International audience; Line broadening coefficients have been calculated, at room temperature, for lines in the P and R branches of the nu2 band of monodeuterated methane. A properly symmetrized semiclassical model with parabolic relative trajectories has been used. Two interaction potential models have been considered. The first is a Lennard-Jones type atom-atom potential, while the second one was derived from ab initio calculations. The calculated line widths were compared to the available experimental data and a satisfactory agreement was found, although the model contains no other adjustable parameters than the four atomic Lennard-Jones ones. Nonetheless, failures of calculations have …