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A general time dependent approach to vibronic spectroscopy including Franck-Condon, Herzberg-Teller and Dushinsky effects
An effective time-dependent approach to compute vibrationally resolved optical spectra from first principles is presented for the computation of one-photon electronic spectra induced by either electric or magnetic transition dipoles or by their mutual interaction, namely absorption, emission, and ci...
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| Опубликовано в: : | J Chem Theory Comput |
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| Главные авторы: | , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2013
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6485600/ https://ncbi.nlm.nih.gov/pubmed/26592403 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400450k |
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