A multi-reference CI study of the low-lying valence and Rydberg states of CF3 radical
| Autor: | Elizete Ventura, Railton B. de Andrade, Glauco F. Bauerfeldt, Silmar A. do Monte, Vanessa C. de Medeiros |
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| Rok vydání: | 2018 |
| Předmět: |
Physics
Valence (chemistry) 010304 chemical physics Biophysics Configuration interaction 010402 general chemistry Condensed Matter Physics 01 natural sciences Fluorescence 0104 chemical sciences symbols.namesake 0103 physical sciences Rydberg formula symbols Physical and Theoretical Chemistry Atomic physics Molecular Biology |
| Zdroj: | Molecular Physics. 116:2187-2195 |
| ISSN: | 1362-3028 0026-8976 |
| DOI: | 10.1080/00268976.2018.1467050 |
| Popis: | Highly correlated calculations at the multi-reference configuration interaction levels including singles and doubles excitations (MR-CISD) and extensivity corrections (MR-CISD + Q) have been perfor... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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