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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‐...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:Chemphyschem
Egile Nagusiak: Ma, Yingjin, Knecht, Stefan, Reiher, Markus
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: John Wiley and Sons Inc. 2017
Gaiak:
Sarrera elektronikoa: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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