Concepedia
Journal of Inorganic Biochemistry · 2010 · 47 citations · 47 references
Natural SciencesBiochemistryChemistryInorganic ChemistrySpectroscopyCoordination ChemistryPorphyrin ComplexesSpin State EvolutionSpin State TransitionsSpin-state ChemistrySpin-state Determination
47
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 · 100.1K citations
Natural Sciences, Chemistry, Physics +17
Density-functional exchange-energy approximation with correct asymptotic behavior
Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations
Natural Sciences, Chemistry, Physics +16
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 · 22K citations
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
John P. Perdew · Physical review. B, Condensed matter · 1986 · 18.7K citations
Natural Sciences, Physics, Condensed Matter Physics +11