Concepedia
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011 · 51 citations · 38 references
Chemical EngineeringEngineeringPhotochemistryAb InitioOrganic ChemistryChemistryDerivative (Chemistry)Dft StudiesMolecular SpectroscopySpectroscopic Method
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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
A short history of<i>SHELX</i>
George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 86.8K citations · Full text
Shelx System, Engineering, Molecular Biology +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
Accurate and simple analytic representation of the electron-gas correlation energy
John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.6K citations
Correlation Energy, Engineering, Many-body Quantum Physic +19
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 21.7K citations
Engineering, Computational Chemistry, Chemistry +16