Concepedia
The Journal of Chemical Thermodynamics · 2003 · 58 citations · 32 references
Materials ScienceVapour PressuresEngineeringMolecular ThermodynamicsPhysical ChemistryExperimental ThermodynamicsThermodynamicsChemistryChemical KineticsStandard Molar Enthalpies
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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
General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.1K citations
Parallel Calculations, Engineering, Detailed Speecup Results +18
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