Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance
By Roberto Peverati, Yan Zhao, Donald G. Truhlar. 2011
199 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy
View Paper: https://www.semanticscholar.org/paper/0b94b8422f540d0f4c4f094f8e0ee2b5faab7887
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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 Spectroscopy
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, methodology): “Nevertheless, they provided insight on which we could build, and SOGGA (suggested for solid-state physics) and SOGGA11 (suggested for chemistry) can be joined by the N12 functional, which is capable of providing balanced performance for both chemistry and solid-state physics, using the same ingredie”