A theoretical study on the ionization of CO2 and CS2 with analysis of the vibrational structure of the photoelectron spectra
Ab initio calculations have been performed to study the molecular structures and the vibrational levels of the low-lying ionic states (Πg2, Πu2, Σu+2, and Σg+2) of CO2 and CS2. The global regions of the potential energy surfaces have been obtained by multireference single and double excitation confi...
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| Veröffentlicht in: | The Journal of chemical physics 2000-06, Vol.112 (24), p.10838-10844 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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