Time-Dependent Quantum Wave Packet Calculations of Three-Dimensional He-O_2 Inelastic Scattering

摘要

We have studied a three-dimensional time-dependent quantum dynamics of He -O_2 inelastic scattering by using a recently published ab initio potential energy surface.The state-to-state transition probabilities at zero total angular momentum have been calculated in the energy range of 0.12-0.59 eV,and the product rotational distributions are extracted.J-shifting approximation is used to estimate the probabilities for J > 0.The integral cross sections and thermal rate constants are then calculated.