Abstract
Large-scale multi-reference configuration interaction (MRD-CI) calculations are used to compute the electronic spectrum of the pyramidal Si 3C 3 cluster. The first dipole-allowed transition is predicted at 4.30 eV. The dominating transition ( 2 1A ′′←X 1A ′ ) is calculated at 4.74 eV with a π→π ∗ -type oscillator strength of f = 0.52 . This excitation together with two somewhat less intense ( f = 0.01–0.07 ) transitions around 5.2 eV and higher excitations between 5.7 and 5.9 eV could serve as a guideline for experimental search.
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