ABINITIO POTENTIAL-ENERGY SURFACE FOR THE STUDY OF CO-H2 COLLISIONS AT THERMAL ENERGIES

The computation and fitting of an ab initio COH2 potential energy surface is described and discussed. Comparison is made with previous calculations based upon the electron gas model and with parameters deduced from measurements of differential and total scattering cross sections and of pressure broadening coefficients. The asymptotic forms of the electrostatic, induction and dispersion energies are presented; the dispersion energy calculated at long range yields the values of the parallel and perpendicular components of the quadrupole polarisability tensor, A, of the CO molecule. © 1979.