An all-electron study on neutral, singly, and doubly charged Alₙ clusters (n=2--6) has been carried out within the Kohn-Sham formalism incorporating gradient corrections to the exchange and correlation energy contributions self-consistently. We present results on their equilibrium geometries, adiabatic and vertical ionization potentials, electron affinities, atomization energies, global hardness, and possible fragmentation channels. It is shown that global hardness decreases with cluster size and that it is useful in selecting the energetically more feasible fragmentation route.
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Martı́nez et al. (1994) studied this question.
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