Accurate Prediction for Dynamic Hybrid Local and Charge Transfer Excited States from Optimally Tuned Range-Separated Density Functionals

Fine regulation of excited-state characteristics of organic molecules plays a vital role in the rational design of novel optoelectronic materials. Recently, the fluorescent emitters with a hybridized local and charge transfer (HLCT)-excited state have attracted significant interest in developing hig...

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Veröffentlicht in:	Journal of physical chemistry. C 2019-03, Vol.123 (9), p.5616-5625
Hauptverfasser:	Jiang, Yanrong, Hu, Zhubin, Zhou, Bin, Zhong, Cheng, Sun, Zhenrong, Sun, Haitao
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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