Research Article

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

Table 1

Calculation range of reactant part.

Calculation range of reactant part

(He-HH, Å)0.4, 0.6, 0.8, 1.0, 1.1, 1.2, 1.3, 1.4, 1.5, 1.6, 1.7, 1.8, 1.9, 2.0, 2.1, 2.2, 2.3, 2.4, 2.6, 2.8, 3.0, 3.2, 3.4, 3.6, 3.8, 4.0, 4.2, 4.4, 4.6, 4.8, 5.0, 5.2, 5.4, 5.6, 5.8, 6.0
(HH, Å)0.4, 0.6, 0.7, 0.72, 0.74, 0.75, 0.76, 0.8, 1.0, 1.1, 1.2, 1.3, 1.4, 1.5, 1.6, 1.7, 1.8, 1.9, 2.0, 2.1, 2.2, 2.3, 2.4, 2.5, 2.6, 2.7, 2.8, 2.9, 3.0, 3.2, 3.4, 3.6, 3.8, 4.0
(degree)0, 10, 20, 30, 40, 50, 60, 70, 80, 90

(He-HH, Å): bond length from helium to the center of mass between two hydrogens, the unit is Å. (HH, Å): bond length between two hydrogen atoms, the unit is Å. (degree): the angle between and , the unit is degree.