Can the lowest two electronic states of Si₂ be ordered?

Abstract

Second-order configuration interaction (SOCI) calculations on Si2 and C2 in their lowest 3Σ-g and 3Πu, states, combined with experimental data for C2, lead to a prediction of a near certain 3Σg-Si2 ground state with Te = 180 ± 200 cm-1. Enough computed information is now available to guide an experimental search for the bands in the 3Σ-g to 3Πu electronic transition. © 1987.