A simple effective potential for exchange.

By Axel D. Becke, Erin R. Johnson. Journal of Chemical Physics, 2006

1,439 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/2b1fc0763fb3aa06cac88a34a7bc6b9590120c08

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. Claudia Felser
2. Binghai Yan
3. Miguel A. L. Marques
4. Yan Sun
5. Yong Xu
6. K. He
7. R. Jishi
8. A. Sharif

In Physical and Theoretical Chemistry

1. Leeor Kronik
2. Miguel A. L. Marques
3. Claudia Felser
4. Micael J. T. Oliveira
5. Fabien Tran
6. Binghai Yan
7. Stephan Kümmel

Citations in the corpus

• Electronic, optical and thermoelectric investigations of Zintl phase AE3AlAs3 (AE = Sr, Ba): First-principles calculations (2018, methodology): “Since calculations using generalized gradient approximation (GGA) for the exchange-correlation potential underestimate the band gaps of semiconductors, we have used the modified GGA known as Tran-Blaha modified Becke-Johnson (TB-mBJ) potential [16,17].”
• Intrinsic magnetic topological insulators in van der Waals layered MnBi2Te4-family materials (2018, methodology): “In addition, the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional (55) and the modified Becke-Johnson (mBJ) functional (56) were used.”
• Modeling of Lead Halide Perovskites for Photovoltaic Applications (2014, background): “An exchange potential was recently proposed by Becke and Johnson (BJ), designed to yield the exact exchange potential in atoms.(24) Unfortunately, the use of this potential led to a slight improvement in the energy gap values for many semiconductors.”
• Orbital-dependent density functionals: Theory and applications (2008, background): “Finally, it should be mentioned that recently an idea has been put forward to mimic OEP behavior with semilocal ingredients Becke and Johnson, 2006 .”
• Negative magnetoresistance without well-defined chirality in the Weyl semimetal TaP (2015, positive): “The modified Becke–Johnson exchange potential 58,59 was employed for accurate band structure calculations.”
• Libxc: A library of exchange and correlation functionals for density functional theory (2012, background): “MetaGGA Exchange XC MGGA X LTA Local tau approximation 24.07 [142] XC MGGA X TPSS Perdew, Tao, Staroverov & Scuseria exchange 28.88 [143, 144] XC MGGA X TAU HCTH, Tau HCTH 23.45 [145] XC MGGA X GVT4 GVT4 (exchange part of VSXC) 26.85 [146] XC MGGA X M06L M06-L 29.74 [147, 148] XC MGGA X BR89 Becke-R”