Electron densities in search of Hamiltonians

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

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

Electronegativity: The density functional viewpoint

1978 • 3,066 citations

Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v -representability problem

1979 • 1,817 citations

The self-consistent field for molecules and solids

1974 • 1,056 citations

Exchange-correlation energy of a metallic surface: Wave-vector analysis

1977 • 1,000 citations

Inhomogeneous Electron Gas

1973 • 786 citations

Hohenberg-Kohn theorem for nonlocal external potentials

1975 • 763 citations

Reduced Density Matrices in Quantum Chemistry

1976 • 700 citations

Orthonormal orbitals for the representation of an arbitrary density

1981 • 370 citations

Local-density theory of multiplet structure

1979 • 364 citations

The energy density functional formalism for excited states

1979 • 341 citations

Horizons of Quantum Chemistry

1980 • 284 citations

Elementary properties of an energy functional of the first-order reduced density matrix

1978 • 274 citations

Quantum topology of molecular charge distributions. III. The mechanics of an atom in a molecule

1980 • 251 citations

Consequences of extending 1-matrix energy functionals from pure–state representable to all ensemble representable 1 matrices

1980 • 228 citations

Quantum Topology: Theory of Molecular Structure and its Change

1980 • 194 citations

Local density functional theory of atoms and molecules

1979 • 187 citations

A misconception concerning the electronic density distribution of an atom

1975 • 184 citations

Variational Principle for Many-Fermion Systems

1981 • 172 citations

Calculated electron affinities of the elements

1982 • 171 citations

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

1980 • 158 citations

The role of single-particle density in chemistry

1981 • 156 citations

Non-Born–Oppenheimer density functional theory of molecular systems

1982 • 154 citations

The role of model systems in the few‐body reduction of the N‐fermion problem

1978 • 140 citations

Time-dependent extension of the Hohenberg-Kohn-Levy energy-density functional

1981 • 102 citations

Geometry of density matrices. I. Definitions,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>matrices and 1 matrices

1978 • 101 citations

Geometry of density matrices. II. Reduced density matrices and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>representability

1978 • 84 citations

Orbital Theories of Molecules and Solids

1975 • 81 citations

On a fundamental difference between energy functionals based on first- and on second-order density matrices

1979 • 76 citations

Density functionals in unresticted Hartree–Fock theory

1979 • 63 citations

Density-functional theory of magnetic instabilities in metals

1971 • 61 citations

Variational theorems for the single-particle probability density and density matrix in momentum space

1981 • 60 citations

Bound excited states in density-functional theory

1981 • 47 citations

Exchange-correlation in inhomogeneous systems— a comment on the surface energy problem

1975 • 43 citations

The Hohenberg–Kohn theorem

1976 • 35 citations

I. Basic Concepts of Quantum Chemistry for Electron Density Studies

1977 • 33 citations

Mapping between local potentials and ground state densities

1981 • 32 citations

Variational Principle for Many-Fermion Systems

1981 • 31 citations

An alternative interpretation of Theophilou's extension of the Hohenberg-Kohn theorem to excited states

1980 • 29 citations

Hohenberg‐Kohn theorem

1980 • 24 citations

A density functional representation of quantum chemistry. I. Motivation and general formalism

1967 • 20 citations

In defense of the Hohenberg–Kohn theorem and density functional theory

1982 • 17 citations