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most citedBroken-Symmetry Unrestricted Hybrid Density Functional Calculations on Nickel Dimer and Nickel Hydride

22 citations · 26 across the 2 of their papers we have counts for

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cond-mat.mtrl-sci2003

Taming the rugged energy landscape: Techniques for the production, reordering, and stabilization of selected cluster inherent structures

Dubravko Sabo, J. D. Doll, David L. Freeman

We report our studies of the potential energy surface (PES) of selected binary Lennard-Jones clusters. The effect of adding selected impurity atoms to a homogeneous cluster is expl…