Density-functional approach to nonlinear-response coefficients of solids

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

Forces in Molecules

1939 • 3,570 citations

Physical properties of crystals

2011 • 2,967 citations

Green’s-function approach to linear response in solids

1987 • 1,944 citations

Theory of lattice dynamics in the harmonic approximation

1971 • 1,756 citations

Momentum-space formalism for the total energy of solids

1979 • 1,437 citations

Quantum-mechanical theory of stress and force

1985 • 747 citations

Ab initiocalculation of the macroscopic dielectric constant in silicon

1986 • 543 citations

Ab initiostatic dielectric matrices from the density-functional approach. I. Formulation and application to semiconductors and insulators

1987 • 365 citations

Theory of lattice-dynamical properties of solids: Application to Si and Ge

1982 • 311 citations

Diagonalization of large matrices in pseudopotential band-structure calculations: Dual-space formalism

1988 • 184 citations

On the perturbation theory of small disturbances

1956 • 163 citations

Self-consistent theory of electronic states and dielectric response in semiconductors

1986 • 152 citations

Crystal Physics of Interaction Processes

1967 • 139 citations

Total-energy gradients and lattice distortions at point defects in semiconductors

1985 • 128 citations

Studies in perturbation theory

1964 • 114 citations

Elastic Constants of Crystals from Linear-Response Theory

1987 • 95 citations

Ab initiocalculation of phonon frequencies of Al

1982 • 86 citations

Ab initiocalculation of the low-frequency Raman cross section in silicon

1986 • 69 citations

Abinitiodetermination of a structural phase transition temperature

1987 • 68 citations

Tractable Approach for Calculating Lattice Distortions around Simple Defects in Semiconductors: Application to the Single Donor Ge in GaP

1982 • 55 citations

Real-space convergence of the force series in the lattice dynamics of germanium

1985 • 52 citations

Analytic computation of energy derivatives. Relationships among partial derivatives of a variationally determined function

1986 • 51 citations

Calculation of anharmonic phonon couplings in C, Si, and Ge

1986 • 44 citations

First-principles calculation of the dielectric properties of GaAs: Dielectric constant, effective charges, and piezoelectric constant

1983 • 38 citations

Investigation of the electronic structure and phonon anharmonicity inβ- andγ-NbH

1986 • 30 citations

Sur le calcul des énergies perturbées d'ordre quelconque

1960 • 27 citations

Lattice Defects in Semiconductors: Towards a Finite-Temperature Theory

1987 • 5 citations