The adiabatic semiclassical perturbation theory for vibrationally inelastic scattering. III. Morse oscillators

摘要

We have modified our previous adiabatic theory for vibrationally inelastic scattering lsqb;J. Chem. Phys.71, 1426 (1979)rsqb;. A perturbation calculation is done using a partially adiabatic basis set. The result is exponentiated to give the full scattering matrix. Several improvements were made in the theory for collinear scattering from harmonic oscillators. The accuracy is much better than the previous version, and the computation time is less. The theory has been adapted for the Morse oscillator, and the accuracy is as good or better than for the harmonic oscillator except for the system He+HBr. The poor accuracy in the case of He+HBr seems to be due to the large perturbation involved as well as the mass combinations of the various atoms involved in the collision.