Testing intermolecular potentials with scattering experiments: He-CO rotationally inelastic collisions

A recent set of experimental data which Save new state-to-state He-CO rotationally inelastic integral cross sections at two different collision energies is examined in the present study using a potential energy surface obtained by us which combines Density Functional Theory (DFT) methods with dispersion interaction corrections. Computations with exact quantum dynamical coupling indicate that the DFT-DISP approach generates a model potential which agrees with the experiments more closely than two of the most accurate potential functions which already exist for the title system. The implications of the present results are extended by also calculating state-to-state differential cross sections and rotational relaxation/excitation rates at low temperatures. The quality of the potential well produced by the present model is further tested by calculating the structure of its rovibrational bound states.