On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies.
By Denis Jacquemin, Eric A. Perpète, Ilaria Ciofini, Carlo Adamo, Rosendo Valero, Yan Zhao, Donald G. Truhlar. Journal of Chemical Theory and Computation, 2010
414 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/be1d9a725431bff9e2177ecd44dba5261ad9d9a1
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In Atomic and Molecular Physics, and Optics
- Roberto Peverati
- Donald G. Truhlar
- Stefan Grimme
- M. Head‐Gordon
- Yan Zhao
- Narbe Mardirossian
- Lars Goerigk
- Robert O. Jones
In Organic Chemistry
In Physical and Theoretical Chemistry
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”