Systematization of the stable crystal structure of all<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>AB</mml:mi></mml:math>-type binary compounds: A pseudopotential orbital-radii approach

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Effective ionic radii in oxides and fluorides

1969 • 8,203 citations

Norm-Conserving Pseudopotentials

1979 • 4,047 citations

A Handbook of Lattice Spacings and Structures of Metals and Alloys

1958 • 3,757 citations

Selected values of the thermodynamic properties of binary alloys

1973 • 3,305 citations

Calculated Electronic Properties of Metals

1978 • 2,787 citations

Nonlocal pseudopotential calculations for the electronic structure of eleven diamond and zinc-blende semiconductors

1976 • 1,977 citations

Constitution of Binary Alloys.

1959 • 1,931 citations

Ionicity of the Chemical Bond in Crystals

1970 • 1,798 citations

Pseudo-potentials in the theory of metals

1966 • 1,684 citations

Bonds and Bands in Semiconductors

1973 • 1,618 citations

Metallurgical Thermochemistry.

1980 • 1,543 citations

Methods in Computational Physics

1971 • 1,354 citations

Physical chemistry of metals

1953 • 1,251 citations

Cohesive properties of metallic compounds: Augmented-spherical-wave calculations

1979 • 1,214 citations

Electron-ion pseudopotentials in metals

1966 • 1,211 citations

New Method for Calculating Wave Functions in Crystals and Molecules

1959 • 1,207 citations

The self-consistent field for molecules and solids

1974 • 1,056 citations

Constitution of Binary Alloys Second Supplement

1969 • 861 citations

Constitution of binary alloys, first supplement

1966 • 845 citations

On the heat of formation of solid alloys

1975 • 690 citations

Phase stability in metals and alloys

1967 • 644 citations

The electronegativity parameter for transition metals: Heat of formation and charge transfer in alloys

1973 • 611 citations

Non-singular atomic pseudopotentials for solid state applications

1980 • 562 citations

On the heat of formation of solid alloys. II

1976 • 536 citations

Electronic Structure and Alloy Chemistry of the Transition Elements

1965 • 519 citations

The model potential for positive ions

1965 • 494 citations

Cancellation of Kinetic and Potential Energy in Atoms, Molecules, and Solids

1961 • 484 citations

A New Approximation Method in the Problem of Many Electrons

1935 • 483 citations

Optimum Form of a Modified Heine-Abarenkov Model Potential for the Theory of Simple Metals

1968 • 450 citations

Kristallstrukturen zweikomponentiger Phasen

1964 • 429 citations

Structure of Binary Liquid Mixtures. II. Resistivity of Alloys and the Ion-Ion Interaction

1967 • 383 citations

Energy-Minimization Approach to the Atomic Geometry of Semiconductor Surfaces

1978 • 376 citations

Semiconductor Charge Densities with Hard-Core and Soft-Core Pseudopotentials

1979 • 340 citations

(110) surface atomic structures of covalent and ionic semiconductors

1979 • 330 citations

Bonding and Structures of Transition Metals

1968 • 310 citations

A New Method of Determining Electronegativity from Other Atomic Properties

1946 • 303 citations

Crystal chemistry of tetrahedral structures

1964 • 280 citations

Spectroscopic Analysis of Cohesive Energies and Heats of Formation of Tetrahedrally Coordinated Semiconductors

1970 • 265 citations

Repulsive Forces in Relation to Bond Energies, Distances and Other Properties

1948 • 258 citations

Quantum-Defect Electronegativity Scale for Nontransition Elements

1974 • 249 citations

The electronic structure of solid surfaces

1976 • 225 citations

Theory of the Heats of Formation of Transition-Metal Alloys

1979 • 217 citations

Quantum-defect theory of heats of formation and structural transition energies of liquid and solid simple metal alloys and compounds

1978 • 215 citations

Electron-ion pseudopotentials in the alkali metals

1968 • 202 citations

First-principles nonlocal-pseudopotential approach in the density-functional formalism: Development and application to atoms

1978 • 199 citations

Band Structure and Optical Properties of Tetrahedrally Coordinated Cu‐ and Ag‐Halides

1977 • 198 citations

First-principles nonlocal-pseudopotential approach in the density-functional formalism. II. Application to electronic and structural properties of solids

1979 • 194 citations

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

1977 • 188 citations

ABcompounds with ScY and rare earth metals. II. FeB and CrB structures of monosilicides and germanides

1966 • 186 citations

Metallic Binding According to the Combined Approximation Procedure

1936 • 171 citations

New Model Potential for Pseudopotential Calculations

1971 • 168 citations

A self-interaction corrected approach to many-electron systems: Beyond the local spin density approximation

1980 • 155 citations

Die Struktur der AB‐Verbindungen der schweren Alkalimetalle mit Zinn und Blei

1964 • 150 citations

Electronic magnetic and cohesive properties of some nickel-aluminium compounds

1980 • 148 citations

AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with CrB and CsCl structure

1965 • 143 citations

Microscopic Basis of Miedema's Empirical Theory of Transition-Metal Compound Formation

1980 • 139 citations

An approximate relation between orbital SCF energies and total SCF energy in molecules

1977 • 134 citations

Structure of Metals and Alloys

2023 • 129 citations

Pauli-Force Model Potential for Solids

1973 • 119 citations

On the experimental electron distribution in silicon

1974 • 117 citations

Alloys of Gold with Alkali Metals

1943 • 115 citations

The crystal structure of NaPb

1953 • 114 citations

Some approximate energy relationships for molecules

1976 • 108 citations

Density-functional formulation of the generalized pseudopotential theory

1977 • 108 citations

Alkaline earth silicides, germanides and stannides with CrB structure type

1967 • 107 citations

Structure Data of Elements and Intermetallic Phases

1971 • 102 citations

Energy of formation of binary transitional alloys

1976 • 102 citations

�ber die metallische Bindung

1935 • 95 citations

On the tight binding theory of the heats of formation

1978 • 84 citations

Structural Stability of 495 Binary Compounds

1980 • 79 citations

Mössbauer effect study of b.c.c. structure alloys, FeAl and FeTi

1967 • 78 citations

Atomic and Molecular Calculations with the Pseudopotential Method. II. Exact Pseudopotentials for Li, Na, K, Rb, Be+, Mg+, Ca+, Al++, Cu, and Zn+

1967 • 77 citations

Photoemission and Band Structure of the Semiconducting Compound CsAu

1962 • 72 citations

Easy glass formation in simple metal alloys: Amorphous metals containing calcium and strontium

1978 • 71 citations

Local-density self-consistent energy-band structure of cubic CdS

1978 • 70 citations

Self-consistent pseudopotential calculation of the bulk properties of Mo and W

1979 • 69 citations

Nonlocal pseudopotential calculation of the electronic properties of relaxed GaAs (110) surface

1980 • 68 citations

Perturbation theory and alloying behaviour I. Formalism

1969 • 66 citations

Electronic and magnetic states in metallic compounds—I. Kondo effect and ferromagnetism in CoAl

1972 • 65 citations

Density-Functional Pseudopotential Approach to Crystal Phase Stability and Electronic Structure

1978 • 61 citations

Ground-state properties of crystalline silicon in a density-functional pseudopotential approach

1980 • 60 citations

Intermetallic Compounds

1963 • 56 citations

The electrochemical effect in alloys of cadmium, magnesium and mercury

1969 • 55 citations

Copper, copper alloys and the electron concentration concept

1967 • 54 citations

Electronegativity scale for metals

1979 • 52 citations

Pseudopotentials in Density-Functional Theory

1978 • 51 citations

Electronic structure of CsAu

1977 • 51 citations

Structural Stability of Suboctet Simple Binary Compounds

1977 • 50 citations

Quantum theory of the heats of formation of metallic alloys

1979 • 47 citations

Perturbation theory and alloying behaviour II. The mercury-magnesium system

1969 • 45 citations

Mössbauer Study and Molecular Field Theory of the Magnetic Properties of Fe–Al Alloys

1971 • 43 citations

Hard-core pseudopotentials and structural maps of solids

1979 • 42 citations

Contemporary pseudopotentials—Simple reliability criteria

1979 • 41 citations

Nonlocality and the energy of alloy formation

1978 • 40 citations

On the structure of the transition metals

1968 • 38 citations

Electronic charge density of aluminum

1973 • 38 citations

Spin glass behaviour of CoGa compounds

1980 • 34 citations

Spin-dependent correlated atomic pseudopotentials

1980 • 34 citations

On the structure of the transition metals II. Computed densities of states

1969 • 34 citations

Calculation of the electronic properties of Mo in a first-principles nonlocal-pseudopotential approach

1979 • 34 citations

The use of pseudopotentials within local-density formalism calculations for atoms: Some results for the first row

1977 • 33 citations

Self-diffusion of60Co and72Ga in the ordered electronic compound CoGa

1979 • 33 citations

The Magnetic Behaviour of FeAl Alloys of B2‐Structure Investigated by Mössbauer Spectroscopy

1970 • 31 citations

Ionicity and phase transitions at negative pressures

1975 • 31 citations

Structural pseudoion form factors

1977 • 30 citations

The infrared effective charge in IV-VI compounds. II. A three dimensional calculation

1979 • 29 citations

Core effects on molecular structure

1971 • 29 citations

Reliability of Pseudopotential Charge Densities

1979 • 28 citations

Magnetic Susceptibility of β′-NiAl

1969 • 27 citations

Influence of thermomagnetic treatments on the magnetic properties of Co-Pt 50-50 alloy

1969 • 26 citations

Optical Properties of β′ Phase CoAl, CoGa, and NiGa

1970 • 23 citations

Transformation ordre-desordre dans la solution solide de fer-gallium

1977 • 22 citations

Transition Metal Alloys of Extraordinary Stability; An Example of Generalized Lewis-Acid-Base Interactions in Metallic Systems

1973 • 19 citations

Renormalized orbital radii

1978 • 18 citations

Theory of the deviation from the Ruedenberg energy relation for molecules

1979 • 17 citations

Analytic representation for first-principles pseudopotentials

1980 • 16 citations

First-principles pseudopotential in the local-density-functional formalism

1979 • 16 citations

On the first principles Hartree—Fock and local density pseudopotentials

1978 • 16 citations

Evidence of non-cubic lattice distortions around vacant sites in Co–Ga β' phases

1978 • 16 citations

Electronic charge density in simple metals

1978 • 15 citations

Finer examination of Politzer’s improved approximate energy formula for molecules

1980 • 14 citations

Anisotropic temperature factors and screw rotation coefficients from a lattice dynamical viewpoint

1968 • 13 citations

A solid state approach to the electronic structure of molecules: Self-consistent pseudopotential calculation of O2

1979 • 13 citations

Valence charge density in aluminium

1973 • 12 citations

Calculation of the atomic radius from shielding considerations

1976 • 12 citations

The total Hartree–Fock SCF energy in atoms and ions

1979 • 11 citations

Tight-binding theory of alloy heats of formation: a moments approach

1979 • 8 citations

The Politzer and the Ruedenberg type energy relations for molecules in their nonequilibrium configurations

1978 • 8 citations

The total Hartree-Fock energy-eigenvalue sum relationship in atoms

1979 • 8 citations

The atomic radius of a solute in alloys of the noble metals

1975 • 7 citations

FePt and CoPt alloy films for magneto-optic storage

1978 • 6 citations

Pseudopotentials and the radius of the atomic core

1978 • 6 citations

Relations between SCF and Slater’s orbital energies in closed-shell configurations of isoelectronic atoms and ions

1979 • 4 citations