Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps
Author:
Affiliation:
1. Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr D45470, Germany
Funder
Alexander von Humboldt-Stiftung
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c10492
Reference63 articles.
1. Excitation Energies and Properties of Open-Shell Singlet Molecules
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4. Rational Design of TADF Polymers Using a Donor-Acceptor Monomer with Enhanced TADF Efficiency Induced by the Energy Alignment of Charge Transfer and Local Triplet Excited States
5. The Role of Local Triplet Excited States and D-A Relative Orientation in Thermally Activated Delayed Fluorescence: Photophysics and Devices
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