Density-functional thermochemistry. III. The role of exact exchange

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1988 • 50,231 citations

Accurate and simple analytic representation of the electron-gas correlation energy

1992 • 23,635 citations

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

1992 • 20,307 citations

A new mixing of Hartree–Fock and local density-functional theories

1993 • 15,285 citations

Density Functional Theory of Atoms and Molecules

1980 • 12,196 citations

Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism

1976 • 3,562 citations

Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

1991 • 3,385 citations

Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

1992 • 3,103 citations

Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction

1992 • 1,633 citations

Gaussian-1 theory: A general procedure for prediction of molecular energies

1989 • 1,465 citations

Electronic structure of solids

2020 • 1,158 citations

Exchange-correlation energy of a metallic surface: Wave-vector analysis

1977 • 1,000 citations

Correlation energy of an inhomogeneous electron gas: A coordinate-space model

1988 • 892 citations

Gaussian-1 theory of molecular energies for second-row compounds

1990 • 676 citations

Adiabatic-connection approach to Kohn-Sham theory

1984 • 341 citations

On the surface energy of a bounded electron gas

1974 • 318 citations

An investigation of the performance of a hybrid of Hartree-Fock and density functional theory

1992 • 209 citations

Total-energy differences: Sources of error in local-density approximations

1985 • 179 citations