A study of the quantal time delay matrix in collinear reactive scattering

摘要

The Eisenbudndash;Wigner time delay matrix is used to study the dynamics of reaction close to vibrationally adiabatic barrier energies. Maxima in the time delay are predicted and are found to be in excellent agreement with vibrationally adiabatic barrier energies determined by quantized pods. The actual time spent in the vicinity of the barriers is estimated by separating out the free particle time. This lsquo;lsquo;real timersquo;rsquo; is then used to analyze the validity of the adiabatic and sudden approaches to reactive scattering in the 3D H+H2and D+H2reactions.