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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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Pubblicato in:J Mol Model
Autori principali: Bai, Shuming, Mansour, Ritam, Stojanović, Ljiljana, Toldo, Josene M., Barbatti, Mario
Natura: Artigo
Lingua:Inglês
Pubblicazione: Springer Berlin Heidelberg 2020
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7174274/
https://ncbi.nlm.nih.gov/pubmed/32318882
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-020-04355-y
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