Extensions of the LSD approximation in density functional calculations

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

A local exchange-correlation potential for the spin polarized case. i

1972 • 5,288 citations

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

1976 • 3,562 citations

Explicit local exchange-correlation potentials

1971 • 3,266 citations

Calculated Electronic Properties of Metals

1978 • 2,787 citations

Quantum theory of atomic structure

1961 • 1,152 citations

On the calculation of multiplet energies by the hartree-fock-slater method

1977 • 961 citations

Handbook of atomic data

1976 • 571 citations

Local-density theory of multiplet structure

1979 • 364 citations

Density functional theory and molecular bonding. III. Iron-series dimers

1979 • 247 citations

Density Functional Calculations for Atoms, Molecules and Clusters

1980 • 226 citations

Molecular bonding in Group IIA dimers Be2–Ba2

1979 • 159 citations

Magnetic and cohesive properties from canonical bands (for transition metals)

1976 • 158 citations

Density functional theory and molecular bonding. I. First-row diatomic molecules

1977 • 150 citations

Muffin-tin orbitals and the total energy of atomic clusters

1977 • 143 citations

The electronic structure of the ground and excited states of Mg+2 and Mg2

1977 • 74 citations

Density functional theory of 3d-transition element atoms

1978 • 74 citations

Bonding trends in the group-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">IV</mml:mi><mml:mi>A</mml:mi></mml:math>dimers<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><…

1979 • 44 citations