Numerical Example III Water Clusters

The water cluster examples in Table 6 are meant to illustrate a somewhat more difficult minimization problem. Optimal cluster-network geometries are more difficult to locate not only because of the difficulty in constructing good starting points the optimal configurations are dominated by long-range nonbonded forces that are computationally not feasible to consider in preconditioners. 

For higher dimensions, we note that TN performs very well despite the relatively poor preconditioner and starting point. A limit on the maximum 

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