Abstract

Large-scale ab initio multi-reference configuration interaction (MRD-CI) calculations are carried out to determine the vertical electronic spectrum of linear C 9. On the contrary to prior theoretical estimations based on the free electron model, the calculated energy for the 1Σ u + ← X 1Σ g + transition of 4.43 eV confirms recent measurements of 4.20 eV. The corresponding yet to be observed 1Π u ← X 1Σ g + transition is predicted to be located near 2.37 eV.

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