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A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects

We present a new formulation of the time-dependent theory of Resonance-Raman spectroscopy (TD-RR). Particular attention has been devoted to the generality of the framework and to the possibility of including different effects (Duschinsky mixing, Herzberg-Teller contributions). Furthermore, the effec...

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Publicat a:J Chem Phys
Autors principals: Baiardi, Alberto, Bloino, Julien, Barone, Vincenzo
Format: Artigo
Idioma:Inglês
Publicat: 2014
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4608049/
https://ncbi.nlm.nih.gov/pubmed/25240346
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4895534
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