Fast and accurate determination of the singlet-triplet gap in donor-acceptor and multiresonance TADF molecules by using hole-hole Tamm-Dancoff approximated density functional theory
One of the requirements to design efficient emitters based on the multiresonance (MR)- or donor-acceptor (D-A) thermally activated delayed fluorescence (TADF) materials is a relatively small energy gap between the lowest singlet and triplet excited states (Delta E-ST). High-level ab initio calculati...
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| Main Authors: | , , |
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| Format: | Article |
| Published: |
WILEY-V C H VERLAG GMBH
2022
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/41714/ |
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