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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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Bibliografiska uppgifter
I publikationen:J Chem Theory Comput
Huvudupphovsmän: Baiardi, Alberto, Bloino, Julien, Barone, Vincenzo
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2013
Ämnen:
Länkar: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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