Abstract
Vertical and in some cases adiabatic electron affinities are calculated for the clusters S4 and Sin, n = 3 – 7 with large basis sets. The effects of electron correlation are taken into account by CI and Green function techniques. The clusters show a complex behaviour upon electron attachment. The isomers of 84 show normal electron capture processes as well as electron attachment with shake-up. The Si clusters show multiple affinity states resulting from capture of an electron into different orbitals: Si3 C2v has at least three, Si4 D2h four, Si5 D3h two, Si6 D4v one, Si6 C2v three and Si7 D5h two affinity states (vertical processes: Sin + e− ± Sin + hν). For the Sin clusters in some cases shake-up affinities are calculated which are positive. The effects of electron correlation on the electron affinities are extremely large for the Si clusters in particular. In several cases the differences between the adiabatic and vertical electron affinities are very large amounting up to 1.5 eV.
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