Theory of mott insulators

Inhomogeneous Electron Gas

1964 • 48,242 citations

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

1981 • 19,782 citations

Electron correlations in narrow energy bands

1963 • 6,300 citations

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies

1986 • 3,612 citations

Band gaps and electronic structure of transition-metal compounds

1985 • 2,809 citations

Absence of Mott Transition in an Exact Solution of the Short-Range, One-Band Model in One Dimension

1968 • 2,779 citations

The Theory of Transition-Metal Ions

1961 • 2,398 citations

Electron correlations in narrow energy bands III. An improved solution

1964 • 1,959 citations

Electron Correlation and Ferromagnetism of Transition Metals

1963 • 1,867 citations

First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators

1985 • 1,308 citations

Linked-Cluster Expansions for the Nuclear Many-Body Problem

1967 • 1,258 citations

The transition to the metallic state

1961 • 1,166 citations

Density functionals for coulomb systems

1983 • 1,153 citations

Neutron Diffraction by Paramagnetic and Antiferromagnetic Substances

1951 • 1,133 citations

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

1938 • 1,084 citations

Metal-insulator transitions

1973 • 986 citations

Magnitude and Origin of the Band Gap in NiO

1984 • 888 citations

Electrical and Optical Properties of Narrow-Band Materials

1970 • 836 citations

Satellite structure in photoelectron and Auger spectra of copper dihalides

1981 • 822 citations

Theory of Magnetic Exchange Interactions:Exchange in Insulators and Semiconductors

1963 • 812 citations

Accurate Exchange-Correlation Potential for Silicon and Its Discontinuity on Addition of an Electron

1986 • 783 citations

Density functional theory and the band gap problem

2009 • 733 citations

Magnetic Effects and the Hartree-Fock Equation

1951 • 729 citations

Valence-band photoemission and optical absorption in nickel compounds

1984 • 656 citations

Progress in solid-state chemistry

1966 • 604 citations

Direct Cation- -Cation Interactions in Several Oxides

1960 • 581 citations

The quantum theory of atomic structure

1961 • 575 citations

Band theory of insulating transition-metal monoxides: Band-structure calculations

1984 • 567 citations

Interpolation Scheme for Band Structure of Noble and Transition Metals: Ferromagnetism and Neutron Diffraction in Ni

1966 • 538 citations

Electronic Structure of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>Transition-Metal Monoxides. I. Energy-Band Results

1972 • 502 citations

Optical Properties of NiO and CoO

1970 • 498 citations

Optical Properties of Nickel Oxide

1959 • 497 citations

Metal-Insulator Transition in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">V</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cr</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mo>)</mml:mo></mml:mrow…

1970 • 470 citations

Metal-Insulator Transitions in Pure and Doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">V</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><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1973 • 437 citations

Electronic structure of Mott insulators

1977 • 435 citations

Even parity states of 16O and 17O

1966 • 416 citations

Observation of a Spin-Peierls Transition in a Heisenberg Antiferromagnetic Linear-Chain System

1975 • 373 citations

Effect of Self-Energy Corrections on the Valence-Band Photoemission Spectra of Ni

1979 • 363 citations

Determination of the electronic structure of transition-metal compounds:2px-ray photoemission spectroscopy of the nickel dihalides

1986 • 338 citations

Magnetic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">V</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><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>in the insulating phase

1978 • 336 citations

Photoemission Partial State Densities of Overlapping<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>p</mml:mi></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>States for NiO, CoO, FeO, MnO, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub…

1975 • 335 citations

MC-SCF. I. The multi-configuration self-consistent-field method

1973 • 330 citations

Photoemission from transition metals and their compounds

1986 • 329 citations

Semi-conductors with partially and with completely filled₃d-lattice bands

1937 • 324 citations

Theory of the Magnetic Properties of Ferrous and Cobaltous Oxides, I

1957 • 319 citations

Transition-Metal Monoxides: Band or Mott Insulators

1984 • 269 citations

Iron Series Hartree-Fock Calculations

1960 • 257 citations

Ni<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>-band self-energy beyond the low-density limit

1981 • 246 citations

Theory of Semiconductor-To-Metal Transitions

1967 • 242 citations

Crystal Structure of the Low-Temperature Antiferromagnetic Phase of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">V</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><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></…

1970 • 242 citations

Electronic structure of transition metal compounds; ground-state properties of the 3d-monoxides in the atomic sphere approximation

1980 • 237 citations

Insulating and Metallic States in Transition Metal Oxides

1968 • 219 citations

Optical Absorption of CoO and MnO above and below the Néel Temperature

1959 • 209 citations

Theory of mott transition : Applications to transition metal oxides

1972 • 208 citations

Systematics of the breakdown of Mott insulation in binary transition metal compounds

1972 • 190 citations

Quasiparticle energies in GaAs and AlAs

1987 • 188 citations

Calculations of the dynamic susceptibility of nickel and iron

1980 • 173 citations

Band theory of the magnetic interaction in MnO, MnS, and NiO

1983 • 163 citations

Effect of coulomb correlations on energy bands in ferromagnetic transition metals : Ni, Co and Fe

1982 • 155 citations

Resonant valence-band satellites and polar fluctuations in nickel and its compounds

1982 • 154 citations

Electronic Structure of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>Transition-Metal Monoxides. II. Interpretation

1972 • 145 citations

Raman Spectrum of Semiconducting and Metallic V<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1971 • 144 citations

Shake-up and multiplet structure of ESCA satellites of Cu compounds

1976 • 141 citations

Metal-insulator transition in NiS₂

1971 • 122 citations

On the Nature of the Magnetic Couplings in Transitional Metals

1961 • 118 citations

Model supercell local-density calculations of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>excitation spectra in NiO

1986 • 117 citations

Metal-insulator transition in pure and Cr-doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">V</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><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1978 • 114 citations

A theoretical study of the electronic structure of ferrocene and ferricinium: Application to Mössbauer isomer shifts, ionization potentials, and conformation

1976 • 113 citations

Theory of satellite excitations in inner shell X-ray photoelectron spectra of nickel and copper compounds

1975 • 106 citations

Photoemission intensities at the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>p</mml:mi></mml:math>threshold resonance of NiO and Ni

1983 • 105 citations

Transition entre états métalliques et isolants pour un gaz d'électrons. Application aux bandes d'impuretés et aux antiferromagnétiques. I

1959 • 100 citations

Origin of the Two-Peak Photoemission and Inverse-Photoemission Spectra in Ce and Ce Compounds

1984 • 96 citations

Mechanisms That Determine the Electronic Dielectric Constants of Ionic Crystals

1975 • 89 citations

Existence of Two Phase Transitions in Hubbard Model

1969 • 88 citations

Ultraviolet Optical Properties and Electronic Band Structure of Magnesium Oxide

1967 • 86 citations

Magnetic Form Factor of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Co</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>Ion in Cobaltous Oxide

1970 • 86 citations

Direct and Temperature-Modulated Reflectance Spectra of MnO, CoO, and NiO

1972 • 83 citations

Farbe und Konstitution bei anorganischen Feststoffen. VIII [1] B. Die Lichtabsorption des zweiwertigen Nickels in den Mischkristallen Mg_1—xNi_xO und in tetraedrischer Koordination

1965 • 82 citations

Ab InitioCalculations on KNi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: Ligand-Field Effects

1972 • 80 citations

State-Dependent Potentials in Metallic Vanadium and Chromium

1973 • 80 citations

Heat Capacity of Vanadium Oxides at Low Temperature

1973 • 80 citations

A calculation of the Coulomb correlation energy, U, for transition metals in Hubbard's model

1974 • 78 citations

Electronic properties of narrow energy bands

1972 • 78 citations

Electronic Structure and Spectrum of the Ni<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow><mml:mrow /><mml:mrow /><mml:mrow><mml:mo>−</mml:mo><mml:mn>4</mml:mn><mml:mn /></mml:mrow></mml:mmultiscripts></mml:mrow></mml:math>Cluster: Results of Calculations Based on Self-Consistent-Field Models

1971 • 76 citations

Itinerant Antiferromagnetism in an Infinite Linear Chain

1969 • 74 citations

Charge transfer satellites. Intensity dependence on localization of hole state

1977 • 70 citations

Mott insulation in transition metal compounds

1985 • 70 citations

The metal-semiconductor phase diagram for NiS2−xSex

1973 • 66 citations

Different Orbitals for Different Spins in an Infinite Chain of Hydrogen Atoms

1969 • 63 citations

Electronic structure of NiO

1981 • 59 citations

Estimates of the Coulomb Correlation Energy from X-Ray Photoemission Data

1973 • 59 citations

Collective states of positive parity in 16O

1966 • 58 citations

A study of the <scp>AMO</scp> method as applied to the lithium metal. I. Review, results, and discussion

1973 • 58 citations

Existence of an antiferromagnetic metallic phase (AFM) in the NiS2−xSex system with pyrite structure

1975 • 58 citations

Infrared band gap at the metal-nonmetal transition in NiS

1974 • 50 citations

Energy-Band Theory of Magnetism

1968 • 49 citations

t-Matrix perturbation theory of solid helium

1972 • 48 citations

Correlation effects in valence-band spectra of nickel silicides

1984 • 48 citations

Investigation of the Metal-Insulator Transition in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">V</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><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:…

1970 • 45 citations

Heat capacity of nickel sulfide and its semimetal-metal transition

1975 • 43 citations

Phase stability in the Hubbard model

1972 • 40 citations

A self-consistent energy band study of FeO, CoO and NiO

1978 • 40 citations

Inverted coexistence of spherical and deformed states in light nuclei

1969 • 33 citations

Band Theory of Superexchange Interaction

1957 • 27 citations

Molecular-Orbital Theory of the Excited-State Exchange Interaction

1973 • 26 citations

Local-density total-energy supercell description of excited-state properties of solids: Ce photoemission and inverse photoemission spectra

1986 • 26 citations

Intense Shake-up satellites in ESCA Spectra of Transition Metal, Lanthanide and Actinide Compounds

1977 • 25 citations

Existence of Two Phase Transitions in Hubbard Model.

1970 • 22 citations

Spin-polarized energy bands in antiferromagnetic MnO

2009 • 21 citations

Local excitations in crystalline systems

2009 • 19 citations

Rearrangement Effects at Core Ionization in the 3d, 4fand 5fSeries, with Special Emphasis on Cu(ll) Compounds.

1980 • 19 citations

Band structure and optical properties of NiO. II. Calculated optical properties

1983 • 17 citations

Characterization of electrons in solids by structure

1967 • 17 citations

Rotational Level Structure in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>16</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>

1967 • 15 citations

Localized orbitals for band-structure calculations in complex semiconductors

1981 • 15 citations

Orbital effect on a band calculation

1977 • 15 citations

Theoretical study of excitation energies of some CoF₆ⁿ⁻ complexes

1981 • 14 citations

Excitons in Mott-Hubbard Insulators

1971 • 14 citations

A localized-orbital theory of mott insulators

1975 • 13 citations

XLII. On the oxides of manganese; in a letter addressed to Edward Turner, M.D. F.R.S. E., and Professor of Chemistry in the University of London

1829 • 9 citations

Nonexistence of localized Hartree-Fock eigenfunctions in periodic systems

1975 • 8 citations