Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects

The radiative emission lifetime and associated S 1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. Th...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-12, Vol.23 (46), p.26324-26335
Hauptverfasser:	Sia, Rengel Cane E, Arellano-Reyes, Ruben Arturo, Keyes, Tia E, Guthmuller, Julien
Format:	Artikel
Sprache:	eng
Schlagworte:	Computational chemistry Continuum modeling Dyes Emission analysis Emission spectra Lifetime Radiative lifetime Solvation Solvent effect Solvents
Online-Zugang:	Volltext
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