Coriolis coupling effects in the H + Li-2(X-1 Sigma(+)(g)) - LiH(X-1 Sigma(+)) + Li reaction: A time =-dependent wave packet investigation

摘要

The time-dependent dynamics studies on the H + Li-2(X-1 Sigma(+)(g)) reaction has been carried out by using the novel HLi2 (X(2)A') potential energy surface [7]. The reaction probabilities from both Coriolis coupling and centrifugal sudden approximation calculation exhibit oscillations, being attributed to the existence of deep potential well in the reaction. The integral cross sections of the Coriolis coupling calculation are slightly larger than those of the centrifugal sudden approximation calculation over the collision energy range of 0-0.4 eV, which demonstrates that the Coriolis coupling effect plays an important role in the H + Li-2(X-1 Sigma(+)(g)) reaction. (C) 2016 Published by Elsevier B.V.