Identification of the invariant manifolds of the LiCN molecule using Lagrangian descriptors

In this communication, we apply Lagrangian descriptors to study the invariant manifolds that emerge from the top of two barriers existing in the LiCN<->LiNC isomerization reaction. We demonstrate that the integration times must be large enough compared with the characteristic stability exponents of the periodic orbit under study. The invariant manifolds manifest as singularities in the Lagrangian descriptors. Furthermore, we develop an equivalent potential energy surface with 1 and 2 degrees of freedom, which reproduces with a great accuracy previous results.