Electronic structures and photoelectron spectra of Siminus;3and Siminus;4

摘要

Vibrationally resolved photoelectron spectra of Siminus;3and Siminus;4, recently reported by Kitsopoulos, Chick, Weaver, and Neumark, are interpreted usingabinitioquantum chemical calculations of the ground and excited electronic states of the corresponding neutral clusters. The calculated electron affinities as well as the lowhyphen;lying excitation energies agree within 0.1ndash;0.2 eV of the experimental values, thus confirming the theoretically predicted structures of neutral and anionic Si3and Si4reported previously.