Force calculations in the density functional formalism

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Linear methods in band theory

1975 • 6,378 citations

Forces in Molecules

1939 • 3,570 citations

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

1976 • 3,562 citations

Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure

1973 • 3,081 citations

On some approximations in applications of Xα theory

1979 • 1,413 citations

A new computational approach to Slater’s SCF–Xα equation

1975 • 423 citations

Simplification of total-energy and pressure calculations in solids

1974 • 232 citations

Molecular bonding in Group IIA dimers Be2–Ba2

1979 • 159 citations

Muffin-tin orbitals and the total energy of atomic clusters

1977 • 143 citations

Muffin-tin orbitals and molecular calculations: General formalism

1973 • 137 citations

Validity of the frozen-core approximation and pseudopotential theory for cohesive energy calculations

1980 • 114 citations

Density functional theory and molecular bonding. II. Alkali dimers

1978 • 73 citations

Reliability of the Hellmann—Feynman Theorem for Approximate Charge Densities

1962 • 56 citations

Localized-muffin-tin-orbital basis for atomic-cluster calculations within the local-density formalism

1980 • 28 citations