Chemical Physics Letters, Vol.342, No.1-2, 65-74, 2001
Quantum dressed classical mechanics: application to chemical reactions
Reaction dynamics of a four atom system is investigated using a time-dependent Gauss-Hermite discrete variable representation (TDGH-DVR) method. The method is applied to the description of vibrational degrees of freedom in the calculation of initially state selected cross-sections for the reaction H-2 + CN --> HCN + H, while translational and rotational motions are treated classically.