. Author manuscript; available in PMC: 2018 Feb 7.

Published in final edited form as: J Chem Phys. 2017 Feb 7;146(5):054304. doi: 10.1063/1.4974993

Table V.

The positions, R_min, and values, V_min, of the global and local minima of the 〈V₁₅〉 and V₁₅(r₀) surfaces. The corresponding values obtained for the earlier surfaces V₀₄^⁴¹ and V₁₂^¹⁶,¹⁷ are also given for comparison. The distances are given in bohr and energies in cm⁻¹.

(θ₁,θ₂,ϕ)=(0°,180°,0°)

(θ₁,θ₂,ϕ)=(0°,0°,0°)

R_min

V_min

R_{min}^{'}

V_{min}^{'}

V₀₄

7.918

-93.049

7.171

-72.741

V₁₂

7.911

-94.096

7.168

-73.738

〈V₁₅〉₀

7.913

-93.934

7.169

-73.930

〈V₁₅〉₀^a

7.898

-93.921

7.140

-73.881

V₁₅(r₀)^b

7.950

-94.234

7.156

-74.522

Computed for the listed value of R corresponding to the minima of the full-dimensional surface (Table IV).

Computed for r₀ = 1.44874 bohr and s₀ = 2.13989 bohr^¹⁶.