Resonances in H+HLi scattering for nonzero total angular momentum (J > 0): A time-dependent wave packet approach

摘要

The resonances in H+HLi scattering for nonzero total angular momentum (J > 0) are examined here by a time-dependent wave packet approach employing an ab initio potential energy surface (PES) [Dunne LJ, Murrell JN, Jemmer P, Chem Phys Lett 336: 1, 20011 of the system. The resonances are identified by calculating a set of pseudospectra corresponding to the Franck-Condon transition of a hypothetical initial state to the interaction region of the H+HLi PES. The resonances are characterized by calculating their eigenfunctions and linewidth lifetimes. The resonances for J 0 0 are discussed in relation to their counterpart for J = 0. The effect of Coriolis coupling on the resonances obtained from the centrifugal sudden approximation for J = 2 and for K = 0, 1, 2 is examined.