Trajectory Surface-Hopping Study of Electronically Inelastic Collisions of CN(A(2)Pi) with He: Comparison with Exact Quantum Calculations

摘要

Rotationally inelastic collisions between atoms and diatomic molecules have beenthe focus of much interest. Although most past theoretical work has been devoted to collisions of molecules, more complicated cases of collisions involving molecules with nonvanishing electronic spin and/or orbital angular momenta have also been treated. Here, the relative motion of the collision partners can couple not only with the rotational motion of the molecule itself but also with the molecular electronic spin and/or orbital angular momenta. Transitions can take place between rotational and fine-structure levels of a single electronic state, or even between different electronic states. Reprints. (JES)