We analyze the classical trajectory surface-hopping methods of Stine and Muckerman, Tully and Preston, and Blais and Truhlar to determine the appropriateness of each for treating nonadiabatic behavior in H2 + + H2 collisions. The emphasis is on testing the assumptions and evaluating the detailed prescriptions associated with each surface-hopping decision in the three methods.
|Number of pages||8|
|Journal||Journal of Physical Chemistry|
|Publication status||Published - 1987|
ASJC Scopus subject areas
- Physical and Theoretical Chemistry