Quantum Wave Packet Study of O(~1D) + HCl(v) -> ClO(v') + H Reaction

摘要

We have performed quantum wave packet calculations of vibrational reaction probabilities for two-dimensional O(~1D) + HCl(v) -> ClO(v') + H reaction. The time-dependent quantum method described here allows one to compute the reaction probabilities over a broad range of collision energy from a single solution of the time-dependent Schrodinger equation.