Research Article

Accurate Adiabatic and Diabatic Potential Energy Surfaces for the Reaction of He + H2

Table 3

Spectroscopic constants for H2.

() (Å) (cm-1) (cm-1)

This work0.74235726.370637940.0582
Lee’s work [49]0.7433568737868
Yuan’s work [50]0.741438313.2
He’s work [51]0.741838186.2
Expt.0.742 [52]36118.06 [53]38288 [52]

(Å): the equilibrium bond length of the H2, the unit is Å. (cm-1): the experimental dissociation energy of the H2, the unit is cm-1. (cm-1): the equilibrium dissociation energy of the H2, the unit is cm-1.