Intermolecular self-interaction energies of magic clusters M Au ₄ (M=Ti and Zr)

The intermolecular self-interaction energies of magic clusters MAu ₄ was discussed. The magic clusters were characterized by low electron affinity and high ionization potential, and enhanced stability. The interaction energies between the clusters were recalculated taking the BSSE into consideration. It was found that the BSSE corrected interaction energies were much less sensitive to the methods employed at the geometry optimization step.