Popular and widely used hybrid functionals ( B3LYP, M062X, WB97XD, LC-WPBE) fail to accurately predict vertical absorption and emission (Absorption and Fluorescence) wavelengths. Recently proposed approach of tuning in range separated hybrid functionals (Long range corrected hybrid functionals) all though improves the accuracy it does not accurately predict vertical emissions (unlike vertical absorptions).
We propose a novel Excited state tuning approach in the framework of tuning range separated hybrid functionals in DFT to predict accurate vertical emissions in the article titled,
Accurate Prediction of Vertical Emission from Excited-State Tuning of Range-Separated Density Functional Theory
Article Accurate Prediction of Vertical Emission from Excited-State ...