Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions.

By Yan Zhao, N. E. Schultz, Donald G. Truhlar. Journal of Chemical Physics, 2005

997 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/86bf50d22fd36b83da26cd54656f3cc0f96b2b62

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Roberto Peverati
2. Donald G. Truhlar
3. Stephan Kümmel
4. Leeor Kronik
5. Stefan Grimme
6. Robert O. Jones
7. M. Head‐Gordon
8. Yan Zhao

In Materials Chemistry

1. Roberto Peverati
2. Donald G. Truhlar
3. Leeor Kronik
4. Stephan Kümmel
5. Stefan Grimme
6. Robert O. Jones
7. Yan Zhao
8. M. Head‐Gordon

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): “— M05 family [62,63].”
• Status and Challenges of Density Functional Theory (2020, neutral): “Next we discuss the performance of the following density functionals on the NCCE30/18 [35–42], MR-TMD-BE3 [38,43], DGL6 [35,38], TMDBL10 [44], and TSG48 [45] databases, which are part of Minnesota Database 2019: • GAs: PBE [30], GAM [38] • meta approximations: M06-L [32], revM06-L [46], MN15-L [47] ”