Quantum Scattering Studies of Collisional Energy Transfer from Highly Excited Polyatomic Molecules: A Bend-Stretch Model of He + CS_2

摘要

We present the results of an accurate quantum scattering scattering study of collisional energy transfer in a bend-stretch model of the He + CS_2 systems, considering energies to 45 kcal/mol. These results are generated using a coupled channel method, with vibrational eigenfunctions obtained from a discrete variable representation method. Detailed comparisons with the results of classical trajectory calculations are performed so as to assess classical/quantum correspondence for energy transfer moments, and for the energy transfer probability distribu- tion function.