Concepedia
Computational and Theoretical Chemistry · 2011 · 10 citations · 35 references
35
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations
Electron Density, Gradient Expansions, Engineering +14
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
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
John P. Perdew · Physical review. B, Condensed matter · 1986 · 18.6K citations
Correlation Energy, Engineering, Randomphase Approximation +18
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
John P. Perdew, Kieron Burke, Yue Wang · Physical review. B, Condensed matter · 1996 · 6.6K citations
Engineering, Many-body Quantum Physic, Magnetic Resonance +21