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The low-lying electronic states of MgO
The low-lying singlet and triplet states of MgO have been studied using a SA-CASCF/IC-MRCI approach using the aug-cc-pV5Z basis set. The spectroscopic constants (r(e), w(e), and T(e)) are in good agreement with the available experimental data. The computed lifetime for the B state is in excellent ag...
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| Publicado en: | Chem Phys Lett |
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| Autores principales: | , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2016
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7370976/ https://ncbi.nlm.nih.gov/pubmed/32690978 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cplett.2016.11.003 |
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