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

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Introduction to Solid State Physics

1953 • 14,116 citations

Methods of Theoretical Physics

1954 • 13,575 citations

Linear methods in band theory

1975 • 6,378 citations

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

1976 • 3,562 citations

Selected values of the thermodynamic properties of binary alloys

1973 • 3,305 citations

Explicit local exchange-correlation potentials

1971 • 3,266 citations

Calculated Electronic Properties of Metals

1978 • 2,787 citations

Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium

1954 • 1,734 citations

On the calculation of the energy of a Bloch wave in a metal

1947 • 1,490 citations

Topics in Applied Physics

1978 • 1,404 citations

On the Constitution of Metallic Sodium

1933 • 1,213 citations

American Institute of Physics Handbook

1957 • 1,108 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

Theory of atomic chemisorption on simple metals

1978 • 564 citations

Use of energy derivative of the radial solution in an augmented plane wave method: application to copper

1975 • 495 citations

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

1975 • 410 citations

Results of self-consistent band-structure calculations for ScN, ScO, TiC, TiN, TiO, VC, VN and VO

1975 • 379 citations

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

1974 • 357 citations

Energy Bands in Periodic Lattices—Green's Function Method

1961 • 343 citations

Empirical description of the role of electronegativity in alloy formation

1973 • 312 citations

Core-Level Binding-Energy Shifts in Metals

1978 • 309 citations

Chemical Bonding of a Molecular Transition-Metal Ion in a Crystalline Environment

1972 • 305 citations

Calculated Bulk Properties of the Actinide Metals

1978 • 261 citations

Local density theory of metallic cohesion

1977 • 260 citations

Renormalized Atoms and the Band Theory of Transition Metals

1972 • 252 citations

Quantum-Defect Electronegativity Scale for Nontransition Elements

1974 • 249 citations

Simplification of total-energy and pressure calculations in solids

1974 • 232 citations

Transition-metal hydrides: Electronic structure and the heats of formation

1978 • 225 citations

Self-Consistent Theory of the Chemisorption of H, Li, and O on a Metal Surface

1975 • 217 citations

Renormalized atoms: Cohesion in transition metals

1977 • 196 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

Localized Orbitals for Molecular Quantum Theory. I. The Hückel Theory

1969 • 167 citations

Virial Theorem in Self-Consistent-Field Calculations

1971 • 164 citations

The solubility of hydrogen in rhodium, ruthenium, iridium and nickel

1973 • 161 citations

Theory of energy bands and related properties of 4d transition metals. III. s and d contributions to the equation of state

1978 • 160 citations

Magnetic and cohesive properties from canonical bands (for transition metals)

1976 • 158 citations

Density functional theory and molecular bonding. I. First-row diatomic molecules

1977 • 150 citations

Band narrowing and charge transfer in six intermetallic compounds

1974 • 150 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

Pauli-Force Model Potential for Solids

1973 • 119 citations

Localized-orbital description of wave functions and energy bands in semiconductors

1977 • 115 citations

Qualitative Analysis of the Cohesion in Metals

1955 • 76 citations

Structural Stability of Suboctet Simple Binary Compounds

1977 • 50 citations

Heats of formation of 3d and 4d transition metal hydrides

1975 • 43 citations

Exact Korringa-Kohn-Rostoker Energy-Band Method with the Speed of Empirical-Pseudopotential Methods

1972 • 41 citations

Charge transfer and heat of formation in CsCl intermetallic compounds

1978 • 41 citations

The electronic heat capacity of transition metal solid solutions: an alternative to the rigid band model I

1973 • 34 citations

Charge transfer in alloys

1977 • 31 citations

Core effects on molecular structure

1971 • 29 citations

Superconductivity in transition metal alloys: an alternative to the rigid band model. II

1974 • 29 citations

Orbital Model of Thermochemical Parameters

1977 • 28 citations

Charge transfer in binary alloys and to impurities in iron

1977 • 22 citations

Cluster calculations using muffin-tin orbitals

1976 • 15 citations

Electron density in metals

1974 • 14 citations

A limitation on the pseudopotential method

1976 • 8 citations