Abstract
Three-body nonadditive contributions to the interaction energies for different geometrical arrangements of the copper trimer are shown to be decisive in establishing the optimal ${\mathrm{Cu}}_{3}$ structure. Such an optimal geometry is confirmed to be an obtuse triangle but a linear geometry is shown to be also stable, albeit some 7 kcal/mol higher in energy than the obtuse one. The most symmetrical structure (i.e., an equilateral triangle) is less stable than either the linear or the obtuse triangle, but this originates exclusively from its high three-body repulsive contribution to the binding energy.
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