Method for the determination of parametric potential energy surfaces by the direct inversion of inelastic scattering data

摘要

A direct method is described for inverting inelastic scattering data to obtain parameters in potential energy surfaces. A scattering perturbation technique is adapted to obtain a set of equations for the parameters. These equations are solved iteratively by a repeated solution of the closehyphen;coupled equations. The technique is used to determineC6coefficients in pair potentials for He+CH3F by inverting experimental vibrational relaxation rate constant data. The azimuthal and vibrational closehyphen;coupling, rotational infinitehyphen;order sudden method is used in these computations.