Either Accurate Singlet–Triplet Gaps or Excited-State Structures: Testing and Understanding the Performance of TD-DFT for TADF Emitters
Author:
Affiliation:
1. Mulliken Center for Theoretical Chemistry, University of Bonn, Beringstr. 4, 53115Bonn, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00905
Reference61 articles.
1. PCM-ROKS for the Description of Charge-Transfer States in Solution: Singlet–Triplet Gaps with Chemical Accuracy from Open-Shell Kohn–Sham Reaction-Field Calculations
2. Photophysics of thermally activated delayed fluorescence molecules
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4. Purely Organic Thermally Activated Delayed Fluorescence Materials for Organic Light-Emitting Diodes
5. Recent progress in solution processable TADF materials for organic light-emitting diodes
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