Abstract
Ab initio unrestricted Hartree-Fock (UHF) calculations were done to determine the equilibrium geometries of the nine doublet electronic states of the SiH 2 + ion under the C 2v symmetry constraint. Among these states, three unstable states and one Rydberg state were found. The vibrational frequencies in the ground state and five excited electronic states were calculated under the assumptions of valence forces. The properties of eight states of SiH 2 + were compared with those of the corresponding eight states of AlH 2 which we have studied previously, and it was found that the geometries (bent or linear) of these eight states of SiH 2 + are similar to the corresponding ones of AlH 2, except for one state.
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