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

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Methods of quantum field theory in statistical physics

1964 • 5,392 citations

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

1972 • 5,288 citations

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem

1965 • 5,066 citations

Zur Quantentheorie der Molekeln

1927 • 4,387 citations

A Simplification of the Hartree-Fock Method

1951 • 4,355 citations

The Conservation of Orbital Symmetry

1969 • 3,870 citations

Explicit local exchange-correlation potentials

1971 • 3,266 citations

Note on Exchange Phenomena in the Thomas Atom

1930 • 3,092 citations

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

1973 • 3,081 citations

On the Interaction of Electrons in Metals

1934 • 2,793 citations

Thermal Properties of the Inhomogeneous Electron Gas

1965 • 2,599 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

The Basis of the Electron Theory of Metals, with Special Reference to the Transition Metals

1949 • 1,829 citations

Wechselwirkung neutraler Atome und hom�opolare Bindung nach der Quantenmechanik

1927 • 1,778 citations

N�herungsmethode zur L�sung des quantenmechanischen Mehrk�rperproblems

1930 • 1,701 citations

Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium

1929 • 1,578 citations

Ab Initio Computations in Atoms and Molecules

1965 • 1,526 citations

Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen Molecule

1965 • 1,371 citations

Theory of Metal Surfaces: Work Function

1971 • 1,368 citations

Fermi Surface and Some Simple Equilibrium Properties of a System of Interacting Fermions

1960 • 1,239 citations

Ground State of Two-Electron Atoms

1958 • 1,095 citations

Effects of the electron interaction on the energy levels of electrons in metals

1938 • 1,084 citations

Electron Correlations at Metallic Densities. V

1972 • 975 citations

One-Particle Properties of an Inhomogeneous Interacting Electron Gas

1966 • 958 citations

Quantum theory of molecules and solids

1964 • 927 citations

Quantum theory of molecules and solids

1975 • 803 citations

Inhomogeneous Electron Gas

1973 • 786 citations

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1959 • 744 citations

Magnetic Effects and the Hartree-Fock Equation

1951 • 729 citations

Accurate Electronic Wave Functions for the<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>Molecule

1960 • 692 citations

Electron Correlations at Metallic Densities. IV

1970 • 691 citations

Über eine Approximation des Hartree-Fockschen Potentials Durch eine Universelle Potentialfunktion

1954 • 628 citations

The quantum theory of atomic structure

1961 • 575 citations

XXXIV. Notes on the molecular orbital treatment of the hydrogen molecule

1949 • 541 citations

The Interpretation of Band Spectra Part III. Electron Quantum Numbers and States of Molecules and Their Atoms

1932 • 538 citations

Bemerkung zur Elektronentheorie des Ferromagnetismus und der elektrischen Leitf�higkeit

1929 • 531 citations

Molecular thermodynamics

1999 • 499 citations

�ber den Grundzustand des Heliumatoms

1928 • 488 citations

Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules

1973 • 403 citations

Pseudopotential Theory of Cohesion and Structure

1970 • 400 citations

The Density-Functional Formalism and the Electronic Structure of Metal Surfaces

1974 • 357 citations

Cohesion in Monovalent Metals

1930 • 357 citations

Contribution to the cohesive energy of simple metals: Spin-dependent effect

1974 • 336 citations

The Assignment of Quantum Numbers for Electrons in Molecules. I

1928 • 326 citations

The Pseudopotential Concept

1970 • 325 citations

Simplified Theory of Electron Correlations in Metals

1971 • 318 citations

Electron Correlation in the Ground State of Helium

1961 • 305 citations

Zur Deutung der Molekelspektren. I

1927 • 305 citations

Accurate Analytical Self-Consistent Field Functions for Atoms. II. Lowest Configurations of the Neutral First Row Atoms

1962 • 294 citations

Self-consistent band theory of the Fermi-surface, optical, and photoemission properties of copper

1975 • 282 citations

Application of a Self-Consistent Scheme Including Exchange and Correlation Effects to Atoms

1966 • 279 citations

Band Structure of Ferromagnetic Iron Self-Consistent Procedure

1966 • 268 citations

Zur Deutung verwickelter Spektren, insbesondere der Elemente Scandium bis Nickel

1925 • 231 citations

Band Theory of Antiferromagnetic Chromium

1967 • 222 citations

Electron interactions

1959 • 212 citations

The Theoretical and Experimental Status of the Collective Electron Theory of Ferromagnetism

1953 • 209 citations

Computational Solid State Physics

1972 • 197 citations

Zur Deutung der Molekelspektren. II

1927 • 180 citations

Band Structure and Fermi Surface of Ferromagnetic Nickel

1970 • 176 citations

?Selfconsistent field? mit Austausch f�r Natrium

1930 • 164 citations

Some Numerical Results on Quasiparticle Properties in the Electron Gas

1969 • 161 citations

Spin-Polarized Energy Bands in Eu Chalcogenides by the Augmented-Plane-Wave Method

1970 • 147 citations

Muffin-tin orbitals and molecular calculations: General formalism

1973 • 137 citations

Specific Heat of a Degenerate Electron Gas at High Density

1957 • 135 citations

Theory of inhomogeneous magnetic electron gas

1972 • 135 citations

Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons

1963 • 128 citations

Nonlinear, Self-Consistent Theory of Proton Screening in Metals Applied to Hydrogen in Al and Mg

1974 • 127 citations

Effect of Electron Concentration on Magnetic Exchange Interactions in Rare Earth Chalcogenides

1964 • 124 citations

Three approaches to electron correlation in atoms

1970 • 121 citations

Generalized orbital description of the reactions of small molecules

1971 • 107 citations

Band Theory of Antiferromagnetism in 3d f.c.c. Transition Metals

1971 • 107 citations

Electrical Resistivity of Potassium from 1 to 25 °K

1971 • 100 citations

Hydrogen Chemisorption by the Spin-density Functional Formalism. I

1975 • 98 citations

The Unrestricted Hartree-Fock Theory of Chemical Reactions. I

1972 • 94 citations

The Assignment of Quantum Numbers for Electrons in Molecules. II. Correlation of Molecular and Atomic Electron States

1928 • 77 citations

Analytical Self-Consistent Field Functions. III. Isoelectronic Series with 19 to 30 Electrons

1964 • 76 citations

Magnetic Susceptibility of an Electron Gas at High Density

1958 • 74 citations

Phase Transitions and Soft Modes

1972 • 71 citations

Local Exchange-Correlation Potentials and the Fermi Surface of Copper

1972 • 70 citations

Application of the Third Moment to the Electric and Magnetic Response Function

1973 • 68 citations

Exchange enhancement of the spin susceptibility of metals

1971 • 66 citations

The Assignment of Quantum Numbers for Electrons in Molecules. III. Diatomic Hydrides

1929 • 64 citations

Spin-Polarized Splittings in the Temperature-Dependent Reflectance of EuO

1969 • 64 citations

Electron Correlations at Metallic Densities

1972 • 63 citations

Density-functional theory of magnetic instabilities in metals

1971 • 61 citations

Ionization potentials, experimental and theoretical, of the elements hydrogen to krypton

1971 • 60 citations

Analytical Self-Consistent Field Functions for Positive Ions. II. Isoelectronic Series with 11 to 18 Electrons

1963 • 60 citations

Electronic Structure of Atoms and Molecules

2015 • 57 citations

Dielectric Constant of an Exchange-Polarized Electron Gas and the Metal-Semiconductor Transition in Doped EuO

1972 • 54 citations

Exchange- and Correlation-Energy Calculations in Finite Systems

1971 • 53 citations

Screening in a spin-polarized electron liquid

1972 • 49 citations

Analytical Hartree—Fock Functions. IV. Isoelectronic Series for 31 to 36 Electrons and Conclusions

1964 • 47 citations

Spin and Charge Susceptibility of a Ferromagnetic Electron Gas

1973 • 46 citations

Investigations of nonlocal exchange and correlation effects in metals via the density-functional formalism

1974 • 45 citations

Virial Theorem for the Homogeneous Electron Gas

1967 • 43 citations

Kohn-Sham Self-Consistent Calculation of the Structure of Metallic Sodium

1972 • 41 citations

Coulomb holes and expectation values. I. Explicitly correlated wavefunctions

1973 • 38 citations

On the Self-Consistent Potential of the Band Calculation

1971 • 37 citations

Nonlocal Exchange and Correlation Effects on the Fermi Surface of Metals

1974 • 35 citations

Electron correlations at metallic densities

1971 • 31 citations

Correlation Potentials in a Nonuniform Electron Gas

1972 • 30 citations

Correlation and exchange contributions to the charge density variations of an electron gas in the metallic range

1972 • 27 citations

Many-body enhancement of the spin susceptibility of metals

1971 • 24 citations

On the Orbital Approach to the Many-Electron Problem in Molecule

1958 • 21 citations

First principles calculations of the volume dependence of the spin susceptibility for Li and Na

1976 • 19 citations

Band Model and Ferromagnetism

1968 • 19 citations

Effective-Mass Splitting in a Magnetized Metal

1971 • 17 citations

Ferromagnetism of an Electron Gas

1967 • 17 citations

Negative Dielectric Constant of the Ferromagnetic Electron Gas

1972 • 13 citations

Molecular Orbital Treatment of 1sσ 2pσ³Σ_uState of H₂

1958 • 8 citations