Finding the optimal exchange-correlation funtional to describe the excited state properties of push-pull organic dyes designed for thermally activated delayed fluorescence

Cardeynaels, TomTomCardeynaelsParedis, SimonSimonParedisDeckers, JasperJasperDeckersBrebels, SonnySonnyBrebelsVanderzande, DirkDirkVanderzandeMaes, WouterWouterMaesChampagne, BenoitBenoitChampagne2021-10-282021-10-2820201463-9076https://imec-publications.be/handle/20.500.12860/34840Finding the optimal exchange-correlation funtional to describe the excited state properties of push-pull organic dyes designed for thermally activated delayed fluorescenceJournal article10.1039/d0cp02409k