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Multiconfigurational Effects in Theoretical Resonance Raman Spectra
We analyze resonance Raman spectra of the nucleobase uracil in the short‐time approximation calculated with multiconfigurational methods. We discuss the importance of static electron correlation by means of density‐matrix renormalization group self‐consistent field (DMRG‐SCF) calculations. Our DMRG‐...
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| Publicado no: | Chemphyschem |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5324552/ https://ncbi.nlm.nih.gov/pubmed/27933695 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cphc.201601072 |
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