Construction of an accurate potential energy surface by interpolation for quantum dynamics studies of a three-body system
Shi Ying Lin, Seung C. Park, Myung Soo Kim

A method to construct an accurate potentioal energy surface (PES) by interpolation for a three-body reaction
which is sutiable for quantum dynamics studies is presented using Cl + H2 --> HCl + H as an example.
Use of the exponential coordinates led to a significiant improvement. Dynamics results, both classiacl and quantal,
on the LEPS and LEPS-interpolated PESs were nearly indistinguishable.
An accurate analytic PES can be constructed with the ab inition results also, as manifested with the PES contours.