Semiclassical calculations of half-widths and line shifts for transitions in the 30012←00001 and 30013←00001 bands of CO2, I: Collisions with N2

Calculations of the half-width, its temperature dependence, and the line shift are made for the rotational states J=0-120 for two of the Fermi-tetrad bands (30012←00001 and 30013←00001) of CO2 perturbed by N2. The calculations employ the semi-classical complex Robert-Bonamy method with no ad hoc scaling, J-dependent or otherwise, and an intermolecular potential (IP) comprised of an electrostatic part, an atom-atom part, and an isotropic London dispersion part. The averaging over the impact parameter b and relative speed v are explicitly carried out. Many interesting features about CO2 as the radiating molecule are elucidated. Effects of the trajectory model, the order of the expansion of the atom-atom component of the potential, and the inclusion of the imaginary terms are studied. It is shown that the results are very sensitive to the intermolecular potential. The final IP parameters give results that demonstrate excellent agreement with measurement for the three line shape parameters studied in this work.