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Adiabatic and diabatic potentials at (a) rHH = 1.4 a0, (b) rHH = 2.1 a0, (c) rHH = 2.5 a0, (d) rHH = 2.9 a0 for fixed θ = 90.0° vs RLi-HH. The solid lines represent the diabatic energies and the dashed lines represent the adiabatic energies.
