Density functional calculations of molecular bond energies

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

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

1980 • 19,673 citations

Ground State of the Electron Gas by a Stochastic Method

1980 • 13,746 citations

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

American Institute of Physics Handbook

1964 • 2,897 citations

Beyond the local-density approximation in calculations of ground-state electronic properties

1983 • 1,156 citations

The self-consistent field for molecules and solids

1974 • 1,056 citations

Density Functional Methods In Physics

1985 • 719 citations

Computational Methods in Band Theory

1971 • 502 citations

Improved Statistical Exchange Approximation for Inhomogeneous Many-Electron Systems

1969 • 391 citations

Easily Implementable Nonlocal Exchange-Correlation Energy Functional

1981 • 320 citations

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

1968 • 296 citations

Hartree–Fock exchange energy of an inhomogeneous electron gas

1983 • 276 citations

Correlation energies in the spin-density functional formalism

1980 • 254 citations

On the calculation of correlation energies in the spin-density functional formalism

1978 • 253 citations

Electronic structure and bonding of Be2

1984 • 222 citations

Metal-Metal Bonding in Cr-Cr and Mo-Mo Dimers: Another Success of Local Spin-Density Theory

1983 • 152 citations

Numerical Hartree–Fock–Slater calculations on diatomic molecules

1982 • 139 citations

Improved correlation corrections to the local-spin-density approximation

1981 • 106 citations

LCAO local-spin-density and Xα calculations for Cr₂and Mo₂

1984 • 88 citations

Local exchange‐correlation approximations and first‐row molecular dissociation energies

1985 • 65 citations

Dissociation Energy of Cr2

1966 • 64 citations

Local Spin-Density Description of Multiple Metal-Metal Bonding:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Mo</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub…

1983 • 63 citations

Exchange density-functional gradient expansion

1984 • 49 citations

Numerical Hartree–Fock–Slater calculations on diatomic molecules: Addendum

1983 • 32 citations

A method for improving the physical realism of first-principles band structure calculations

2009 • 10 citations