Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.

By J. Perdew, A. Ruzsinszky, Jianmin Tao, V. Staroverov, Gustavo E. Scuseria, G. Csonka. Journal of Chemical Physics, 2005

813 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/f4fa50384d124f678ea799566e729a58bd3ea3de

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. Kristian Sommer Thygesen
2. Eduardo V. Ludeña
3. Eugene S. Kryachko
4. Lars Goerigk
5. Stephan Kümmel
6. Stefan Grimme
7. Leeor Kronik
8. Jens K. Nørskov

In Catalysis

1. Jens K. Nørskov
2. Karsten Wedel Jacobsen
3. Stefan Grimme
4. Bjørk Hammer
5. Eduardo V. Ludeña
6. Lars Goerigk
7. Eugene S. Kryachko
8. Jeff Greeley

In Materials Chemistry

1. Jens K. Nørskov
2. Kristian Sommer Thygesen
3. Bjørk Hammer
4. Stefan Grimme
5. T. Olsen
6. Lars Goerigk
7. H. Hansen
8. H. Häkkinen

Citations in the corpus

• Double‐hybrid density functionals (2014, background): “Note, that single excitations do not necessarily vanish in GLPT opposed to MP2 but their effect is considered to be small and they are typically neglected for DHDFs (or related methods73). vj (r) = 𝛿Ej [𝜌] 𝛿𝜌 (r) (4) Equation (4) can be obtained as the functional derivative of the perturbation e”