articleTop 1% cited
Toward reliable adiabatic connection models free from adjustable parameters
Chemical Physics Letters · 1997 · Vol. 274(1-3) · pp. 242–250
Carlo Adamo(University of Naples Federico II)Verónica Barone✉(University of Naples Federico II)
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesMachine Learning in Materials ScienceAdiabatic processConnection (principal bundle)A priori and a posterioriDensity functional theoryStatistical physicsSet (abstract data type)Hybrid functionalBasis setOrbital-free density functional theoryThermodynamics
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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
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
The Journal of Chemical Physics · 1980 · 17,227 citations
A new mixing of Hartree–Fock and local density-functional theories
The Journal of Chemical Physics · 1993 · 16,288 citations
Comparison of Density Functional and MP2 Calculations on the Water Monomer and Dimer
The Journal of Physical Chemistry · 1994 · 1,014 citations
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
Physical review. B, Condensed matter · 1993 · 17,093 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
Rationale for mixing exact exchange with density functional approximations
The Journal of Chemical Physics · 1996 · 6,473 citations
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