Concepedia
Combustion and Flame · 2009 · 10 citations · 40 references
Computational StudyEngineeringPhysicsNatural SciencesReactivity (Chemistry)Reaction IntermediateCatalysisComputational ChemistryQuantum ChemistryChemistryReaction ProcessChemical KineticsAb-initio Method
40
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
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.2K citations
Primitive Basis Sets, Engineering, Many-body Quantum Physic +19
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
Rick A. Kendall, Thom H. Dunning, Robert J. Harrison · The Journal of Chemical Physics · 1992 · 15.3K citations
Engineering, Diffuse Character, Molecular Biology +17
Note on an Approximation Treatment for Many-Electron Systems
CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.4K citations
Numerical Analysis, Engineering, Zero-order Approximation +16