Reference Energies for Intramolecular Charge-Transfer Excitations
Author:
Affiliation:
1. Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, CNRS, UPS, F-31400 Toulouse, France
2. Univ. Grenoble Alpes, CNRS, Inst NEEL, F-38042 Grenoble, France
3. Université de Nantes, CNRS, CEISAM UMR 6230, F-44000 Nantes, France
Funder
Agence Nationale de la Recherche
H2020 European Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00226
Reference229 articles.
1. Determination of a Solvent Hydrogen-Bond Acidity Scale by Means of the Solvatochromism of Pyridinium-N-phenolate Betaine Dye 30 and PCM-TD-DFT Calculations
2. Molecular Compounds and their Spectra. II
3. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
4. Charge transfer in time-dependent density functional theory
5. Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn–Sham theory
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