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Accurate Prediction of Vertical Emission from Excited-State Tuning of Range-Separated Density Functional Theory

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We report for the first time an excited-state (EX) tuning approach to accurately predict vertical emissions (VEs) based on the study of 36 medium and large organic molecules (∼66 heavy… Click to show full abstract

We report for the first time an excited-state (EX) tuning approach to accurately predict vertical emissions (VEs) based on the study of 36 medium and large organic molecules (∼66 heavy atoms) used ...

Keywords: excited state; state tuning; vertical emission; prediction vertical; accurate prediction

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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