Testing van der Waals interactions with quantum dynamics: Repulsive anisotropy and well depth in the LiH+He system

Abstract

The rigid rotor surface for the LiH-He interaction was studied numerically. The study showed that the well depth and anisotropy of the new surface differ from the valence bond calculations. The performance of potential energy surfaces to generate quantum observables is examined. The two surfaces show small differences in their short-range repulsive anisotropy. They show larger differences in their well depths. The different behavior of their wells in supporting van der Waals bound states was examined.