A new parametrization of exchange–correlation generalized gradient approximation functionals

By A. Daniel Boese, Nicholas C. Handy. 2001

621 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/e58b1272372dee5b9e6003d2b66e97c982cb2b64

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. Robert O. Jones
2. Simon C. Benjamin
3. Ying Li

In Physical and Theoretical Chemistry

1. Robert O. Jones
2. Ying Li
3. Simon C. Benjamin

In Spectroscopy

1. Robert O. Jones

Citations in the corpus

• Density functional theory: Its origins, rise to prominence, and future (2015, background): “The use of experimental data for fitting functional forms may be understandable (Boese and Handy, 2001), but DF theory came to be viewed by some as “semiempirical” in nature.”
• Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics (2012, neutral): “P 1988 [26,29] GGA 0 BMK 2004 [165] mGGA 42 BP86 1988 [26,161] GGA 0 BPW91 1991 [18,26] GGA 0 CAM-B3LYP 2004 [53] RSH-GGA 19–65 GVWN3 1980 [2,15,17] LSDA 0 38 GVWN5 1980 [2,15,17] LSDA 0 HCTH407 1997 [166] GGA 0 HFd <1951e [167]e WFT 100 HFLYP 1987 [29,167] GH-GGA 100 HFPW91 1991 [18,167] GH-GGA ”