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References (19)
Self-Consistent Equations Including Exchange and Correlation Effects
1965 • 57,451 citations
Linear methods in band theory
1975 • 6,378 citations
Discrete Variational Method for the Energy-Band Problem with General Crystal Potentials
1970 • 845 citations
Classical Electrodynamics
2018 • 687 citations
Use of energy derivative of the radial solution in an augmented plane wave method: application to copper
1975 • 495 citations
Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules
1973 • 403 citations
Linearized augmented plane-wave method for the electronic band structure of thin films
1979 • 370 citations
Semiconductor Charge Densities with Hard-Core and Soft-Core Pseudopotentials
1979 • 340 citations
Self-consistent electronic structure of surfaces: Surface states and surface resonances on W(001)
1980 • 261 citations
Self-Consistent Electronic Structure of Solid Surfaces
1972 • 242 citations
Self-consistent linearized-augmented-plane-wave-method determination of electronic structure and surface states on Al(111)
1981 • 129 citations
Band structure of thin films by the linear augmented-plane-wave method
1978 • 112 citations
Evidence for Possible Electronic Contributions to the W(001) Surface Phase Transition
1979 • 81 citations
An optimized LCAO version for band structure calculations application to copper
1978 • 79 citations
Molecular Orbital Densities: Pictorial Studies
1966 • 66 citations
Initial oxidation of the A1(001) surface: Self-consistent electronic structure of clean A1(001) and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Al</mml:mi><mml:mn /><mml:mo>(</mml:mo><mml:mn>001</mml:mn><mml:mo>)</mml:mo><mml:mn /><mml:mo>−</mml:mo><mml:mi>p</mml:mi><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:mn /><mml:mo>×</mml:mo><mml:mn>1</mml:mn><mml:mo>)</mml:mo><mml:mi mathvariant="normal">O</mml:mi></mml:math>
1981 • 62 citations
Origin of Surface Resonance States in Nearly-Free-Electron Metals: Al(001)
1978 • 40 citations
Electrostatics for periodic films of atoms
1981 • 17 citations
A solid state approach to the electronic structure of molecules: Self-consistent pseudopotential calculation of O2
1979 • 13 citations