Quantum Mechanics of the H+H2 Reaction: Exact Scattering Probabilities for Collinear Collisions

摘要: The H + H2 reaction is very important in theoretical chemical dynamics (1-4). A model that often used to study this restrict the atoms lie on a nonrotating line throughout collision and consider system electronically adiabatic, i.e., it remains lowest electronic state collision. This reduces problem scattering of three particles potential energy surface which function two linearly independent coordinates. has been studied classically (5-8), Mortensen Pitzer (9) have calculated exact quantum mechanical probabilities at five relative translational energies E0. In Communication, we present some results our more extensive calculations show their consequences for validity approximate theories reactions. For cases considered here, assumption adiabaticity causes little error (10).