Calculation of the vacancy formation energy in aluminium

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

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

1981 • 19,782 citations

Ground State of the Electron Gas by a Stochastic Method

1980 • 13,746 citations

Unified Approach for Molecular Dynamics and Density-Functional Theory

1985 • 10,277 citations

Function minimization by conjugate gradients

1964 • 4,653 citations

Single Crystal Elastic Constants and Calculated Aggregate Properties. A Handbook

1971 • 2,660 citations

Thermal Properties of the Inhomogeneous Electron Gas

1965 • 2,599 citations

Special Points in the Brillouin Zone

1973 • 1,968 citations

Momentum-space formalism for the total energy of solids

1979 • 1,437 citations

Pseudopotentials in the theory of metals

1966 • 1,323 citations

Single crystal elastic constants and calculated aggregate properties

1971 • 1,005 citations

Electron densities in search of Hamiltonians

1982 • 662 citations

First-principles calculation of the equilibrium ground-state properties of transition metals: Applications to Nb and Mo

1983 • 561 citations

Point defects and defect interactions in metals

1982 • 520 citations

Microscopic Theory of Atomic Diffusion Mechanisms in Silicon

1984 • 329 citations

The Pseudopotential Concept

1970 • 325 citations

A simple, useful analytical form of the static electron gas dielectric function

1978 • 265 citations

New self-consistent approach to the electronic structure of localized defects in solids

1979 • 226 citations

Nonlocal pseudopotentials in molecular-dynamical density-functional theory: Application to<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SiO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1987 • 164 citations

Self-consistent electronic states for reconstructed Si vacancy models

1976 • 161 citations

The theory of the cohesive energies of solids

1987 • 161 citations

Measurements of the vacancy formation enthalpy in aluminum using positron annihilation spectroscopy

1978 • 156 citations

Ab initiomolecular dynamics on the Ge(100) surface

1987 • 155 citations

Positron trapping in solid and liquid metals

1975 • 153 citations

Total-energy calculations of the structural properties of the group-V element arsenic

1986 • 129 citations

A structural expansion of the cohesive energy of simple metals in an effective Hamiltonian approximation

1968 • 120 citations

On the vacancy formation energy and volume of simple cubic metals

1974 • 113 citations

Abinitiodetermination of the structure of a grain boundary by simulated quenching

1987 • 107 citations

Ground-state energies of simple metals

1974 • 96 citations

Total energy calculations in solid state physics

1988 • 89 citations

The use of a pair potential for the study of defects and disorder in aluminium

1981 • 84 citations

The thermodynamics of characteristic defect parameters

1981 • 80 citations

Vacancy formation energies and linear screening theory

1976 • 75 citations

Theory of Enhanced Migration of Interstitial Aluminum in Silicon

1983 • 66 citations

Practical Methods of Optimization, Vol. 1: Unconstrained Optimization (R. Fletcher)

1982 • 60 citations

Pseudopotential calculations of relaxation and formation energy of a vacancy in aluminum

1971 • 46 citations

A study of vacancy-iron interactions in quenched aluminum

1978 • 43 citations

Lattice relaxations at substitutional impurities in semiconductors

1987 • 42 citations

Self-consistent electronic structure of a vacancy in aluminum

1981 • 36 citations

Symmetry breaking in the molecular-dynamics method forab initiototal-energy calculations

1988 • 26 citations

Pseudo-potential calculations of relaxation and formation energy of a vacancy in sodium

1971 • 24 citations

Prediction of new materials and properties of solids

1986 • 12 citations

Perturbative pseudopotential calculations of vacancy formation energies in simple metals

1981 • 6 citations