Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules.

By Denis Jacquemin, Valérie Wathelet, Eric A. Perpète, Carlo Adamo. Journal of Chemical Theory and Computation, 2009

1,010 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/b77d02714366b0e17611028d43ab6395947335f6

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In Atomic and Molecular Physics, and Optics

1. Roberto Peverati
2. Donald G. Truhlar
3. Stefan Grimme
4. M. Head‐Gordon
5. Yan Zhao
6. Narbe Mardirossian
7. Lars Goerigk
8. Robert O. Jones

In Organic Chemistry

1. Roberto Peverati
2. Donald G. Truhlar
3. Yan Zhao
4. Stefan Grimme

In Physical and Theoretical Chemistry

1. Roberto Peverati
2. Donald G. Truhlar
3. Yan Zhao
4. Stefan Grimme

Citations in the corpus

• Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics (2012, result): “s limited to ground states and band gaps, although we do consider ionization potentials and electron affinities. The accuracy of DFT for molecular electronic excitation energies is assessed elsewhere [105, 106, 107, 108, 109, 110, 111, 112, 113, 114]. A recent review [115] included 56 DFT assessment”