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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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Detalles Bibliográficos
Autores principales:	Ma, Yingjin, Knecht, Stefan, Reiher, Markus
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2017
Materias:	Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5324552/ https://www.ncbi.nlm.nih.gov/pubmed/27933695 http://dx.doi.org/10.1002/cphc.201601072

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