articleTop 10% cited
Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
Chemical Physics Letters · 1989 · Vol. 157(3) · pp. 200–206
B. Miehlich✉(University of Stuttgart)Andreas Savin(University of Stuttgart)Hermann Stoll(University of Stuttgart)Heinzwerner Preuß(University of Stuttgart)
Advanced Chemical Physics StudiesChemical Thermodynamics and Molecular StructureAtomic and Molecular PhysicsCorrelationEnergy (signal processing)Energy densityMathematical physicsPhysicsComputational chemistryStatistical physicsThermodynamicsChemistryTheoretical physics
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7,190
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4.05
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94%
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References
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
Physical review. B, Solid state · 1976 · 3,625 citations
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Physical review. B, Condensed matter · 1988 · 98,967 citations
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
Physical review. B, Condensed matter · 1986 · 18,617 citations
Self-interaction correction to density-functional approximations for many-electron systems
Physical review. B, Condensed matter · 1981 · 20,560 citations
Self-Consistent Equations Including Exchange and Correlation Effects
Physical Review · 1965 · 62,140 citations
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