Reactive scattering for D~- + D_2 (v = 0-1, j = 0-8): quantum and classical trajectory investigation

摘要

Time-dependent and quasi-classical trajectory methods have been used to investigate stateto- state reaction probabilities, total reaction probabilities, integral reaction cross sections, and averaged effective cross section for the ion-neutral molecule collision D~- + D_2 (v = 0-1, j = 0-8). Three high level different ab initio potential energy surfaces are used.