Methods of Calculation of Energy Bands in Solids

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 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

Simplified LCAO Method for the Periodic Potential Problem

1954 • 4,907 citations

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

1976 • 3,562 citations

�ber die Quantenmechanik der Elektronen in Kristallgittern

1929 • 3,080 citations

Methods in Computational Physics

1964 • 2,231 citations

Quantum Theory of Molecules and Solids

1951 • 1,912 citations

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

1954 • 1,734 citations

Pseudo-potentials in the theory of metals

1966 • 1,684 citations

Pseudopotentials in the theory of metals

1966 • 1,323 citations

On the Constitution of Metallic Sodium

1933 • 1,213 citations

New Method for Calculating Wave Functions in Crystals and Molecules

1959 • 1,207 citations

The Mathematical Theory Of Symmetry In Solids

2009 • 1,203 citations

Quantum theory of atoms, molecules, and the solid state

1966 • 1,064 citations

Wave Functions in a Periodic Potential

1937 • 846 citations

Discrete Variational Method for the Energy-Band Problem with General Crystal Potentials

1970 • 845 citations

Quantum theory of the solid state

2004 • 732 citations

<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>Interaction in Transition Metals

1967 • 675 citations

The modern theory of solids

1940 • 597 citations

Interpolation Scheme for Band Structure of Noble and Transition Metals: Ferromagnetism and Neutron Diffraction in Ni

1966 • 538 citations

A New Method for Calculating Wave Functions in Crystals

1940 • 510 citations

Computational Methods in Band Theory

1971 • 502 citations

The Fitting of Pseudopotentials to Experimental Data and Their Subsequent Application

1970 • 500 citations

Band structure of nickel: Spin-orbit coupling, the Fermi surface, and the optical conductivity

1974 • 424 citations

Pseudopotential Theory of Cohesion and Structure

1970 • 400 citations

General Theory of Pseudopotentials

1962 • 396 citations

Combined Interpolation Scheme for Transition and Noble Metals

1967 • 393 citations

Improved Statistical Exchange Approximation for Inhomogeneous Many-Electron Systems

1969 • 391 citations

Energy Bands in Periodic Lattices—Green's Function Method

1961 • 343 citations

The Pseudopotential Concept

1970 • 325 citations

Energy Band Theory

1964 • 323 citations

Nonintegral Occupation Numbers in Transition Atoms in Crystals

1969 • 274 citations

The theory of Brillouin zones and electronic states in crystals

1961 • 259 citations

Electronic Structure of Rare-Earth Metals. I. Relativistic Augmented-Plane-Wave Calculations

1968 • 245 citations

Fourier Expansion for the Electronic Energy Bands in Silicon and Germanium

1967 • 219 citations

The Theory of Brillouin Zones and Electronic States in Crystals

1962 • 219 citations

Theoretical Investigation of the Electronic Energy Band Structure of Solids

1958 • 194 citations

TheTmatrix, theKmatrix, d bands andl-dependent pseudo-potentials in the theory of metals

1965 • 182 citations

Energy Band Structure of Lithium by the Tight-Binding Method

1966 • 169 citations

Composite Wave Variational Method for Solution of the Energy-Band Problem in Solids

1963 • 151 citations

Self-Consistent Orthogonalized-Plane-Wave and Empirically Refined Orthogonalized-Plane-Wave Energy-Band Models for Cubic ZnS, ZnSe, CdS, and CdSe

1969 • 151 citations

Relativistic Theory for Energy-Band Calculation

1966 • 136 citations

The Calculation of Bloch Functions

1971 • 125 citations

Application of the Gaussian-Type Orbitals for Calculating Energy Band Structures of Solids by the Method of Tight Binding

1970 • 119 citations

An Augmented Plane-Wave Method for the Periodic Potential Problem. II

1953 • 118 citations

Self-Consistent Orthogonalized-Plane-Wave Energy-Band Study of Silicon

1970 • 116 citations

Band structure, cohesive energy, optical conductivity, and Compton profile of lithium

1974 • 115 citations

Electron-Ion Interaction and the Fermi Surfaces of the Alkali Metals

1969 • 106 citations

Modifications to the Orthogonalized-Plane-Wave Method for Use in Transition Metals: Electronic Band Structure of Niobium

1967 • 88 citations

Orthogonalized Plane Wave Method

1955 • 84 citations

Combined Plane-Wave Tight-Binding Method for Energy-Band Calculations with Application to Sodium Iodide and Lithium Iodide

1969 • 83 citations

The Calculation of Electronic Energy Bands by the Augmented Plane Wave Method

1971 • 83 citations

Relativistic Formulation of the Green's Function Method in Periodic Lattices

1966 • 75 citations

Electronic States as Linear Combinations of Muffin-Tin Orbitals

1971 • 70 citations

Shifts in the Electronic Band Structure of Metals Due to Non-Muffin-Tin Potentials

1970 • 68 citations

Electronic-Structure Studies of Solids. II. "Exact" Hartree-Fock Calculations for Cubic Atomic-Hydrogen Crystals

1973 • 66 citations

Inversion of Fermi-Surface Data Using Partial-Wave Phase Shifts and Their Derivatives: An Application to the Noble Metals

1972 • 61 citations

Energy bands, optical conductivity, and Compton profile of sodium

1975 • 60 citations

Augmented-Plane-Wave Hartree-Fock First-Principles Calculation of the Fermi Surfaces of Li, Na, and K

1973 • 54 citations

Measurements of Gamma-Ray Attenuation Coefficients

1973 • 54 citations

The Orthogonalized Plane-Wave Method

1957 • 53 citations

Self-Consistent Orthogonalized-Plane-Wave Band Calculation on GaAs

1970 • 51 citations

Relativistic Energy Band Structure and Properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>γ</mml:mi></mml:math>-Uranium

1973 • 49 citations

First principle basis functions and matrix elements in the H-NFE-TB representation

1972 • 46 citations

Dielectric matrix for aluminum

1975 • 46 citations

Absorption of Soft X Rays by Insulators with a Forbidden Exciton Transition

1973 • 45 citations

Green's-Function Method in the Energy-Band Problem

1966 • 42 citations

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

1972 • 41 citations

Optical Dielectric Function of the Lithium-Fluoride Crystal

1973 • 39 citations

Modified Augmented-Plane-Wave Method for Calculating Energy Bands

1969 • 37 citations

Plane-Wave-Gaussian Energy-Band Study of Nb

1971 • 34 citations

Correlation Potentials in a Nonuniform Electron Gas

1972 • 30 citations

Electronic-structure studies of solids. III. Hartree-Fock band functions and energies for cubic lithium crystals

1974 • 29 citations

Non-Muffin-Tin Augmented-Plane-Wave Method for Diamond and Zinc-Blende Lattices

1971 • 27 citations

Augmented Plane Wave Method: A Guide to Performing Electronic Structure Calculations

1967 • 23 citations

A Combined Korringa—Kohn—Rostoker—Discrete-Variational Method for the Electronic Structure of Crystals and Molecules with General Potentials

1973 • 21 citations

Shot effect on secondary emission. I

1936 • 20 citations

The Electron Band Theory of Solids

1971 • 17 citations

The electron band theory of solids

1971 • 16 citations

Supplemented-orthogonalized-plane-wave expansion for energy-band calculations

1974 • 13 citations

Energy bands in solids

1968 • 13 citations

Determination of Einstein-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>A</mml:mi></mml:math>and linewidth dependence on pressure for 3.4-μm DF spectra. I. Absorption measurements for pure DF

1975 • 12 citations

Reaction<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">Sn</mml:mi></mml:mrow><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>116</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow><mml:mo>(</mml:mo><mml:mi>α</mml:mi><mml:mo>,</mml:mo><mml:mi> </mml:mi><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">He</mml:mi></mml:mrow><mml:mprescripts /><mml:mrow /><mml:…

1970 • 10 citations

Constraints on<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>|</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi>η</mml:mi></mml:mrow><mml:mrow><mml:mn>00</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>|</mml:mo></mml:math>from Electromagnetic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>C</mml:mi></mml:math>Violation

1970 • 8 citations