articleTop 10% cited
On the parameterization of the local correlation functional. What is Becke-3-LYP?
Chemical Physics Letters · 1997 · Vol. 268(5-6) · pp. 345–351
Roland H. Hertwig(Technische Universität Berlin)Wolfram Koch✉(Technische Universität Berlin)
Advanced Chemical Physics StudiesAdvanced Physical and Chemical Molecular InteractionsCatalysis and Oxidation ReactionsHybrid functionalCorrelationDensity functional theoryComputational chemistryChemistryStatistical physicsMathematicsPhysicsGeometry
Funding
- Deutsche Forschungsgemeinschaft
Citations
996
FWCI
4.19
field-weighted impact
References
29
Percentile
95%
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References
A new mixing of Hartree–Fock and local density-functional theories
The Journal of Chemical Physics · 1993 · 16,288 citations
Gaussian-2 theory for molecular energies of first- and second-row compounds
The Journal of Chemical Physics · 1991 · 3,430 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
Ground State of the Electron Gas by a Stochastic Method
Physical Review Letters · 1980 · 14,143 citations
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
Physical review. B, Condensed matter · 1986 · 18,617 citations
Ab initio molecular orbital theory
Accounts of Chemical Research · 1976 · 7,925 citations
Density-functional exchange-energy approximation with correct asymptotic behavior
Physical review. A, General physics · 1988 · 53,059 citations
Density-functional thermochemistry. III. The role of exact exchange
The Journal of Chemical Physics · 1993 · 101,526 citations
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