Theory of distorted‐wave Born approximation for reactive scattering of an atom and a diatomic molecule

摘要: Theoretical analysis was made on the transition matrix of distorted‐wave Born approximation for reactive collisions an atom and a diatomic molecule. Using ordinary representation in which projections angular momentum initial final molecule are referred to same fixed space axis, we separate out variables describing rigid rotation three‐particle system thus reduce five‐dimensional integral three‐dimensional integral. The significance present formulation is illustrated by actual calculations scattering (H, H2) system. For 0 → rotational transition, early results reproduced with less than 1% computer time previously used. 1 also readily obtained compared those close‐coupling calculation. reliability adiabatic model possible impacts kinetics discussed.