A disconnectivity graph joins minima when an energy threshold first permits a path between their basins. Taking thresholds in steps of 2 and admitting transition states with energy at most the threshold gives the following merges:
  • : minima 8 and 9, whose exact connecting barrier is .
  • : minima 6 and 7.
  • : minima 2 and 3.
  • : minima 4 and 5, whose exact barrier is 0.25.
  • : the 2–3 and 4–5 groups join through the barrier of 5.
  • : the 6–7 group joins the 2–3–4–5 group.
  • : minimum 1 joins that group.
  • : the 8–9 group joins the rest.
These eight merges connect all nine minima without duplicating a basin. Minimum endpoints lie at their stated energies; branch heights are the discretized superbasin thresholds, not necessarily the exact saddle energies. If a strictly-less-than threshold convention is used, barriers exactly on a grid line join at the next grid level; the physical connectivity is unchanged.
Figure 1.
Original disconnectivity tree with two-unit superbasin thresholds and single-mode observation-time crossover
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