Computed orientational anisotropy and vibrational couplings for the LiH+H interaction potential

The interaction between LiH and H has been calculated using a Coupled Clust er approach in view of examining the strength of the coupling between the i mpinging atom and the rovibrational LiH states in low energy collision regi mes. The potential energy surface was thus obtained by considering not only the angular anisotropy but also the dependence of the interaction energy o n the vibrational motion of the LiH molecule, hence producing the strength of the vibrational coupling. The main objective is that of gaining a realis tic description of the interaction in the sub-reactive region. The results of our calculations show here that this interaction should be used in conju nction with that of the reactive configurational space because of the stron g coupling between the non-reactive and the reactive channels in the presen t system makes the full reactive scattering calculations a more-reliable wa y to obtain realistic cross-sections also for inelastic relaxation and exci tation processes.