ON THE NATURE OF BONDING IN SMALL Mg CLUSTERS

摘要

Bonding in small Mg_n clusters (n=2,3,4) has been studied using the Hartree-Fock plus Damped Dispersion (HFD) model. The results are consistent with best available values obtained using more sophisticated correlated methods. The agreement between the fully correlated methods and the HFD model leads to the conclusion that Mg_n clusters up to n=4 are bound predominantly by van der Waals forces.