Concepedia
Communications Chemistry · 2023 · 17 citations · 45 references
Open access
45
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
Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set
Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 116.1K citations
Numerical Analysis, Engineering, Computational Chemistry +17
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 80.7K citations
Optical Materials, Engineering, Acoustic Metamaterial +18
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1997 · 14.1K citations · Full text
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
A. I. Liechtenstein, Jan Zaanen · Physical review. B, Condensed matter · 1995 · 4.6K citations · Full text
Charge Excitations, Engineering, Strongly Correlated Electron Systems +18