Assessment of the reliability of the Perdew–Burke–Ernzerhof functionals in the determination of torsional potentials in π-conjugated molecules

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text

Numerical Analysis, Engineering, Machine Learning +19

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 52.9K citations

Localized Excited State, Engineering, Exchange Energies +17

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Bjørk Hammer, L. B. Hansen, Jens K. Nørskov · Physical review. B, Condensed matter · 1999 · 8K citations · Full text

Materials Science, Molecular Adsorption, Chemical Engineering +15

Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

Matthias Ernzerhof, Gustavo E. Scuseria · The Journal of Chemical Physics · 1999 · 5.2K citations

Engineering, Magnetic Resonance, Computational Chemistry +17

Comment on “Generalized Gradient Approximation Made Simple”

Yingkai Zhang, Weitao Yang · Physical Review Letters · 1998 · 2.8K citations

Numerical Analysis, Matthias Ernzerhof, Engineering +10