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Plots of the energy evolution of the individual diabatic structures (blue and red) and the global adiabatic state (bold black) along the H···H distance (rH–H). Note that the diabatic curves associated with the ionic structures (in red) barely contribute to the black adiabatic curve: the latter curve only deviates negligibly from the curve associated with the HL structure (blue) in the region around the optimal bonding distance.
