How to Predict Excited State Geometry by Using Empirical Parameters Obtained from Franck‐Condon Analysis of Optical Spectrum
Author:
Affiliation:
1. Department of Chemistry Kocaeli University Izmit Kocaeli 41001 Turkey
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202100437
Reference78 articles.
1. Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals
2. Performance of the Density Functional Theory/Multireference Configuration Interaction Method on Electronic Excitation of Extended π-Systems
3. Going beyond the vertical approximation with time-dependent density functional theory
4. Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules
5. Accuracy of TD-DFT Geometries: A Fresh Look
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1. Activation Energies of Diffusion for Relaxed Singlet and Triplet Excitons over Conjugated Polymer Chains;The Journal of Physical Chemistry C;2024-03-26
2. Thermally activated motion of cold excitons in conjugated polymers;International Journal of Quantum Chemistry;2023-01-10
3. Estimation of Excited-State Geometries of Benzene and Fluorobenzene through Vibronic Analyses of Absorption Spectra;ACS Omega;2022-09-01
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