Title of article
MRD-CI study of the electronic spectrum of linear C9
Author/Authors
Mühlhنuser، نويسنده , , Max and Froudakis، نويسنده , , George E. and Peyerimhoff، نويسنده , , Sigrid D.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
6
From page
171
To page
176
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.
Journal title
Chemical Physics Letters
Serial Year
2001
Journal title
Chemical Physics Letters
Record number
1775137
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