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

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1988 • 93,162 citations

Density-functional exchange-energy approximation with correct asymptotic behavior

1988 • 50,231 citations

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1980 • 19,673 citations

An all-electron numerical method for solving the local density functional for polyatomic molecules

1990 • 9,669 citations

Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr

1989 • 6,852 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

Atomic Shielding Constants

1930 • 2,758 citations

A multicenter numerical integration scheme for polyatomic molecules

1988 • 2,589 citations

Approximate density functional theory as a practical tool in molecular energetics and dynamics

1991 • 2,323 citations

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

1989 • 1,465 citations

Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies

1992 • 935 citations

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

1990 • 676 citations

Approximate calculation of the correlation energy for the closed shells

1975 • 598 citations

Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second-Row Atoms

1968 • 296 citations

Optimal numerical integration on a sphere

1963 • 154 citations

A comparative study of density functional models to estimate molecular atomization energies

1990 • 109 citations

Correlation energy of the neon atom

1969 • 66 citations

On the evaluation of molecular electron affinities by approximate density functional theory

1992 • 46 citations