TDDFT Assessment of Functionals for Optical 0–0 Transitions in Small Radicals
Author:
Affiliation:
1. Institut Lumière Matière, UMR5306 Université Lyon 1-CNRS, Université de Lyon, 69622 Villeurbanne Cedex, France
2. Lebanese International University, Mouseitbeh, P.O. Box 146404 Mazraa, Beirut, Lebanon
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp5078032
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1. Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
2. Density-Functional Theory for Time-Dependent Systems
3. How Method-Dependent Are Calculated Differences between Vertical, Adiabatic, and 0–0 Excitation Energies?
4. Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT
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