Linearized augmented-plane-wave calculation of the electronic structure and total energy of tungsten

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

The Compressibility of Media under Extreme Pressures

1944 • 7,730 citations

Linear methods in band theory

1975 • 6,378 citations

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

1972 • 5,288 citations

Explicit local exchange-correlation potentials

1971 • 3,266 citations

On the Interaction of Electrons in Metals

1934 • 2,793 citations

Calculated Electronic Properties of Metals

1978 • 2,787 citations

A technique for relativistic spin-polarised calculations

1977 • 2,219 citations

Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:<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>molecule

1981 • 2,069 citations

Special Points in the Brillouin Zone

1973 • 1,968 citations

Diamond anvil cell and high-pressure physical investigations

1983 • 1,271 citations

Total-energy all-electron density functional method for bulk solids and surfaces

1982 • 989 citations

Inhomogeneous Electron Gas

1973 • 786 citations

Total-energy full-potential linearized augmented-plane-wave method for bulk solids: Electronic and structural properties of tungsten

1984 • 712 citations

A Method for Obtaining Electronic Eigenfunctions and Eigenvalues in Solids with An Application to Sodium

1947 • 541 citations

A relativistic density functional formalism

1979 • 538 citations

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

1975 • 495 citations

Elastic Constants of Tantalum, Tungsten, and Molybdenum

1963 • 443 citations

Ab InitioForce Constants of GaAs: A New Approach to Calculation of Phonons and Dielectric Properties

1982 • 437 citations

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

1979 • 340 citations

Inhomogeneous relativistic electron gas

1978 • 272 citations

Vibrational frequencies via total-energy calculations. Applications to transition metals

1984 • 265 citations

Lattice Harmonics I. Cubic Groups

1965 • 241 citations

Structural phase stability in third-period simple metals

1983 • 223 citations

Condensed xenon at high pressure

1980 • 159 citations

Lattice vibrations of tungsten

1964 • 152 citations

Ab initiocalculation of the phonon dispersion relation: Application to Si

1982 • 150 citations

Microscopic analysis of interatomic forces in transition metals with lattice distortions

1983 • 121 citations

Isothermal compression of bcc transition metals to 100 kbar

1978 • 116 citations

Structural properties of NaCl

1984 • 103 citations

Simultaneous Relaxation of Nuclear Geometries and Electric Charge Densities in Electronic Structure Theories

1983 • 103 citations

Theoretical high-pressure equations of state and phase diagrams of the alkali metals

1984 • 86 citations

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

1979 • 69 citations

Force calculations in the density functional formalism

1981 • 58 citations

Systematics of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>s</mml:mi><mml:mo>→</mml:mo><mml:mi>d</mml:mi></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>p</mml:mi><mml:mo>→</mml:mo><mml:mi>d</mml:mi></mml:math>electronic transition at high pressure for the elements I through La

1982 • 54 citations

Screening in a spin-polarized electron liquid

1972 • 49 citations

Self-consistent semirelativistic pseudopotential calculation of the energy bands, cohesive energy, and bulk modulus of W

1983 • 44 citations