Author/Authors :
Mühlhنuser، نويسنده , , Max and Froudakis، نويسنده , , George E. and Peyerimhoff، نويسنده , , Sigrid D.، نويسنده ,
Abstract :
Large-scale ab initio multi-reference configuration interaction (MRD-CI) calculations are carried out to determine the vertical electronic spectrum of linear C9. On the contrary to prior theoretical estimations based on the free electron model, the calculated energy for the 1Σu+ ← X1Σg+ transition of 4.43 eV confirms recent measurements of 4.20 eV. The corresponding yet to be observed 1Πu ← X1Σg+ transition is predicted to be located near 2.37 eV.
