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On the origin of the shift between vertical excitation and band maximum in molecular photoabsorption

The analysis of the photoabsorption spectra of molecules shows that the band maximum is usually redshifted in comparison to the vertical excitation. We conducted a throughout analysis of this shift based on low-dimensional analytical and numerical model systems, showing that its origin is rooted in...

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Detalles Bibliográficos
Autores principales: Bai, Shuming, Mansour, Ritam, Stojanović, Ljiljana, Toldo, Josene M., Barbatti, Mario
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7174274/
https://www.ncbi.nlm.nih.gov/pubmed/32318882
http://dx.doi.org/10.1007/s00894-020-04355-y