The Energy Density Functional Theory: Present Status-Reflections

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Self-interaction correction to density-functional approximations for many-electron systems

1981 • 19,782 citations

Electronegativity: The density functional viewpoint

1978 • 3,066 citations

The calculation of atomic fields

1927 • 2,333 citations

Zur Theorie der Kernmassen

1935 • 2,066 citations

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

Theory of the Inhomogeneous Electron Gas

1983 • 1,481 citations

Structure of Fermion Density Matrices

1963 • 1,434 citations

Density functionals for coulomb systems

1983 • 1,153 citations

The self-consistent field for molecules and solids

1974 • 1,056 citations

Quantum Theory of Atoms in Molecules–Dalton Revisited

1981 • 704 citations

Descriptions of exchange and correlation effects in inhomogeneous electron systems

1979 • 585 citations

Die Statistische Theorie des Atoms und ihre Anwendungen

1949 • 563 citations

The Thomas-Fermi approximation in quantum mechanics

1957 • 455 citations

The Variation Method in Quantum Chemistry

1974 • 374 citations

Orthonormal orbitals for the representation of an arbitrary density

1981 • 370 citations

Local Density Approximations in Quantum Chemistry and Solid State Physics

1984 • 310 citations

Bemerkung zum Virialsatz

1930 • 275 citations

Density Functional Calculations for Atoms, Molecules and Clusters

1980 • 226 citations

Bound on the maximum negative ionization of atoms and molecules

1984 • 221 citations

Self-interaction correction for density-functional theory of electronic energy bands of solids

1983 • 192 citations

Some remarks on the density functional theory of few-electron systems

1983 • 185 citations

Variational Principle for Many-Fermion Systems

1981 • 172 citations

A one-to-one mapping between one-particle densities and some n-particle ensembles

1980 • 158 citations

Density Functional Methods:Theory and Applications

1984 • 152 citations

The Calculation of Atomic Fields

1975 • 128 citations

Variational Principle for Many-Fermion Systems

2006 • 117 citations

New approach to the calculation of density functionals

1983 • 113 citations

General operator ground-state expectation values in the Hohenberg-Kohn-Sham density-functional formalism

1983 • 78 citations

Variational Methods based on the Density Matrix

1958 • 75 citations

An improved self-interaction-corrected local spin density functional for atoms

1983 • 72 citations

Extensions of the LSD approximation in density functional calculations

1980 • 72 citations

Electron correlation and density-functional methods

1987 • 68 citations

Method of local‐scaling transformations and density‐functional theory in quantum chemistry

1986 • 65 citations

Virial theorem in the density-functional formalism: Forces in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1981 • 61 citations

Advances in Chemical Physics

1969 • 54 citations

An approximate universal energy functional in density functional theory

1983 • 50 citations

Method of local‐scaling transformations and density functional theory in quantum chemistry. II. The procedure for reproducing a many‐electron wave function from x‐ray diffraction data on one‐electron density

1987 • 40 citations

Correlation effects in atoms and molecules

1969 • 38 citations

Many-electron energy-density-functional theory: Point transformations and one-electron densities

1987 • 38 citations

Some properties of the Lagrange multiplier μ in density functional theory

1982 • 35 citations

I. Basic Concepts of Quantum Chemistry for Electron Density Studies

1977 • 33 citations

Relation between chemical and ionization potentials in atoms

1980 • 32 citations

Method of local‐scaling transformations and density functional theory in quantum chemistry. III. The energy density functional: Spin‐restricted approach

1987 • 24 citations

Correction for Self-interaction in the Thomas-Fermi Potential with Application to f Electrons in Atoms

1962 • 23 citations

A kinetic energy density functional

1985 • 17 citations

A comparison between hydrogenic and Thomas–Fermi expectation values

1981 • 16 citations

Evidence for a fundamental inadequacy of the gradient expansion of the exchange-correlation energy functional in the Hohenberg-Kohn-Sham density-functional theory from Compton scattering experiments

1984 • 8 citations

On the Systematic Assessment of Correlation Effects in Local Density Models

1984 • 7 citations

Problems and orientations of development

1981 • 2 citations