How can we predict accurate Fluorescence wavelengths employing DFT? Which is the most accurate DFT methodology currently available which can predict accurate Fluorescence wavelengths (Vertical emissions) ? What are the drawbacks of popular DFT Functionals like B3LYP, M062X, WB97XD, LC-WPBE etc in predicting accurate Fluorescence wavelengths (Vertical emissions) ?
Will Tuning Range separated hybrid functionals improve the accuracy ? How can we further improve the accuracy of tuning range separated hybrid functionals?
We propose a novel Excited-State Tuning approach in Range separated Hybrid functionals in DFT framework which predicts most accurate Fluorescence wavelengths (Vertical emissions).
Article Accurate Prediction of Vertical Emission from Excited-State ...
A novel Excited state tuning approach has been proposed by us which predicts accurate vertical emissions/Fluorescence wavelengths. The following article gives a detailed description of the method and discusses the accuracy and reliability of proposed methodology.
Article Accurate Prediction of Vertical Emission from Excited-State ...
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