Binding energies and electron affinities of small silicon clusters (n=2-5)

The Gaussian-2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of Sin and Si−n (n=1–5) clusters. The G2 energies are used to derive accurate binding energies and electron affinities of these clusters. The calculated electron affinities of Si2–Si4 are in agreement to within 0.1 eV with results from recent photoelectron spectroscopic measurements.