Ground- and excited-state properties of LiF in the local-density formalism

Special points for Brillouin-zone integrations

1976 • 61,084 citations

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Explicit local exchange-correlation potentials

1971 • 3,266 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

1950 • 2,996 citations

The Structure of Electronic Excitation Levels in Insulating Crystals

1937 • 2,008 citations

Special Points in the Brillouin Zone

1973 • 1,968 citations

Conduction in polar crystals. I. Electrolytic conduction in solid salts

1938 • 1,449 citations

Theory for the Forces between Closed-Shell Atoms and Molecules

1972 • 1,250 citations

The self-consistent field for molecules and solids

1974 • 1,056 citations

On the Transformation of light into Heat in Solids. I

1931 • 978 citations

Wave Functions for Impurity Levels

1954 • 798 citations

Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like Ions

1965 • 699 citations

Electron Correlations at Metallic Densities. IV

1970 • 691 citations

Electronic Band Structure and Optical Properties of Graphite from a Variational Approach

1970 • 509 citations

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

1975 • 423 citations

Ground-state thermomechanical properties of some cubic elements in the local-density formalism

1975 • 410 citations

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

1973 • 403 citations

Electronic band structure of the alkali halides. I. Experimental parameters

1975 • 332 citations

Ultraviolet Absorption of Solid Argon, Krypton, and Xenon

1962 • 323 citations

Molecular-Orbital Treatment for Deep Levels in Semiconductors: Substitutional Nitrogen and the Lattice Vacancy in Diamond

1973 • 316 citations

Polarization corrections to core levels

1969 • 205 citations

A method for numerical integration

1961 • 200 citations

Excitons in molecular crystals

1964 • 200 citations

Influence of Electronic Polarization on the Optical Properties of Insulators

1966 • 192 citations

Valence Bands and Core Levels of the Isoelectronic Series LiF, BeO, BN, and Graphite Studied by ESCA

1970 • 190 citations

Localized Defects in Semiconductors

1967 • 172 citations

Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals investigation of the electronic structure and properties of Ti<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">S</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1977 • 168 citations

Theory of binding of ionic crystals: Application to alkali-halide and alkaline-earth-dihalide crystals

1974 • 163 citations

Extreme-Ultraviolet Spectra of Ionic Crystals

1970 • 156 citations

The theory of molecular excitons

1964 • 156 citations

Quantenmechanische Berechnung des Verlaufes der Gitterenergie des Na-Cl-Gitters in Abh�ngigkeit vom Gitterabstand

1936 • 149 citations

Electronic excitation energies and the soft-x-ray absorption spectra of alkali halides

1975 • 149 citations

Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals model for the study of solids in the local density formalism

1977 • 144 citations

Electronic spectrum of crystalline lithium fluoride

1967 • 141 citations

Binding to Isoelectronic Impurities in Semiconductors

1972 • 131 citations

Theory of Donor Levels in Silicon

1955 • 124 citations

Ground-state electronic properties of diamond in the local-density formalism

1977 • 121 citations

New Method for Treating Lattice Point Defects in Covalent Crystals

1965 • 119 citations

X-ray photoemission studies of the alkali halides

1974 • 117 citations

Electron spectroscopy

1972 • 111 citations

Energy Band Structure of Lithium Fluoride Crystals by the Method of Tight Binding

1971 • 101 citations

Inner-electron binding energy and chemical bonding in sulphur

1968 • 101 citations

On the quantum efficiencies of twenty alkali halides in the 12–21 eV region

1965 • 97 citations

Wellenmechanische Berechnung der Gitterenergie und der Gitterkonstante des Lithiumhydrids

1930 • 96 citations

Atomic scattering factors for spherical and aspherical charge distributions

1959 • 90 citations

Soft X-Ray Spectra of the Lithium Halides and Their Interpretation

1970 • 89 citations

Molecular Charge Distributions and Chemical Binding. III. The Isoelectronic Series N2, CO, BF, and C2, BeO, LiF

1968 • 86 citations

Measurement of Photoabsorption of the Lithium Halides Near the Lithium<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>K</mml:mi></mml:math>Edge

1968 • 83 citations

Low-Energy-Electron-Diffraction Intensity Profiles and Electronic Energy Bands for Lithium Fluoride

1973 • 83 citations

Hartree-Fock Band Structure and Optical Gap in Solid Neon and Argon

1972 • 81 citations

Calculation of Energy Bands in Alkali Halides

1970 • 78 citations

Hartree-Fock calculations for crystalline Ne and LiF

1974 • 72 citations

ESCA: chemical shifts of K-shell electron binding energies for first-row atoms in molecules

1969 • 72 citations

Calculation of the Cohesive Energies and Bulk Properties of the Alkali Metals

1972 • 72 citations

Optical properties of LiF

1974 • 70 citations

Röntgenographische Bestimmung der Elektronenverteilung in Kristallen III.

1955 • 69 citations

Extreme Ultraviolet Absorption by Lithium Fluoride

1962 • 64 citations

Extinction in a lithium fluoride sphere

1968 • 63 citations

A new interpretation of the fundamental exciton region in LiF

1975 • 63 citations

Interatomic Interactions in Alkali Halides

1970 • 59 citations

Hartree‐Fock Band Structure of Alkali Fluorides and Chlorides

1972 • 58 citations

Core Exciton and Band Structure in LiF

1974 • 56 citations

Optical-absorption and photo emission edges in insulating solids

1975 • 55 citations

Electronic Excitations in LiF: 10-70 eV

1977 • 55 citations

New Interpretation of the Soft-X-Ray Absorption Spectra of Several Alkali Halides

1974 • 52 citations

Excitons in large-gap insulators: Solid argon

1975 • 51 citations

Band structure, crystal conformation, and hydrogen bond potentials for solid HF

1975 • 51 citations

Theoretical determination of the cohesive energy, the lattice parameter and the compressibility of LiF crystals

1966 • 50 citations

Hartree-Fock Lattice Constant and Bulk Modulus of Diamond

1973 • 49 citations

Radiative Decay of Core Excitons in Alkali Halides

1976 • 49 citations

Absorption of Soft X Rays by Insulators with a Forbidden Exciton Transition

1973 • 45 citations

A photoelectron study of the alkali fluorides

1973 • 41 citations

Screened-exchange plus Coulomb-hole correlated Hartree-Fock energy bands for LiF

1975 • 41 citations

Optical Dielectric Function of the Lithium-Fluoride Crystal

1973 • 39 citations

Comparison between model potential and Hartree–Fock results for diamond

1975 • 38 citations

Small periodic cluster calculation on point defect problems in hexagonal layered solids

1975 • 37 citations

A Self-Consistent Procedure for the Linear-Combination-of-Atomic-Orbitals Method: Application to LiF

1972 • 35 citations

Electronic Energy Bands, Excitons, and Plasmons in Lithium Fluoride Crystal

1969 • 35 citations

Observations of "forbidden" soft-x-ray transitions:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Li</mml:mi><mml:mi> </mml:mi><mml:mi>K</mml:mi></mml:math>absorption in LiF

1974 • 33 citations

A study of the Compton scattering of X-rays. II. Li, Li⁺, Be, Na, Na⁺, Al⁺, Al³⁺, K⁺, Cl⁻, Ca, Ca⁺and Ca²⁺

1960 • 29 citations

Cohesive energy and the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>P</mml:mi><mml:mi> </mml:mi><mml:mi>V</mml:mi></mml:math>relation for fcc neon in two variants of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>model

1975 • 26 citations

Calculations of impurity states in semiconductors: I

1973 • 24 citations

Chemical binding in small molecules by the spin-density-functional formalism

2009 • 24 citations

Combined fourier transform and discrete variational method approach to the self-consistent solution of the electronic band structure problem within the local density formalism

2009 • 23 citations

Cohesive Energy and Elastic Constants of MgO with Partially Scaled Wave Functions

1971 • 23 citations

Local excitations in crystalline systems

2009 • 19 citations

A study of the Xαβ-exchange approximation on atoms for use in molecular and solid-state calculations

1975 • 16 citations

Self-Consistent Energy Bands of LiF

1973 • 15 citations

Plasma Oscillation of Electrons in LiF

1964 • 14 citations

Extinction in lithium fluoride – a comment on Zachariasen's theory of extinction

1972 • 13 citations

A localized-orbital theory of mott insulators

1975 • 13 citations

Thermomodulation Study of Plasmons and Longitudinal Excitons in Alkali Halides

1975 • 12 citations

Application of the discrete variational method to the electronic structure of LiF

2009 • 11 citations

Plasma excitations in LiF

1966 • 9 citations

An X-ray determination of the thermal parameters for LiF

1974 • 9 citations

Self-consistent LCAO local density determination of anisotropic compton profile and X-ray structure factors in diamond

1976 • 9 citations

Nonexistence of localized Hartree-Fock eigenfunctions in periodic systems

1975 • 8 citations