The possible geometrical and electronic structures of small Aun(n=2—9) clusters are optimized by mean of density functional theory (DFT). The effects of electron correlation is included in these calculations. The ground state equilibrium geometries and the atomization energies of Aun(n=2—9) clusters have been calculated. It is shown that the atomization energy per atom increases with the cluster size.The energy level distribution, the Fermi levels and HOMO-LUMO gaps are investigated. Meanwhile, the electron affinities (EAs) and the ionization potentials (IPs) are calculated. The results are in excellent agreement with those of experiment. The even-odd effects of Fermi energy levels, IPs and EAs with the cluster size are explained.
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