Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

Theory of Metal Surfaces: Charge Density and Surface Energy

1970 • 1,886 citations

Theory of Metal Surfaces: Work Function

1971 • 1,368 citations

On the Numerical Calculation of the Density of States and Related Properties

1972 • 1,242 citations

The electronic structure of h.c.p. Ytterbium

1971 • 1,221 citations

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

1970 • 845 citations

Uniform susceptibilities of metallic elements

1977 • 764 citations

Photoelectric Work Functions of Transition, Rare-Earth, and Noble Metals

1970 • 703 citations

Photoemission spectroscopy—Correspondence between quantum theory and experimental phenomenology

1974 • 540 citations

Generalized magnetic susceptibilities in metals: Application of the analytic tetrahedron linear energy method to Sc

1975 • 494 citations

Energy bands in ferromagnetic nickel

1977 • 403 citations

Energy bands in ferromagnetic iron

1977 • 396 citations

Giant internal magnetic pressure and compressibility anomalies

1976 • 265 citations

Local density theory of metallic cohesion

1977 • 260 citations

Self-Consistent Calculation of Energy Bands in Ferromagnetic Nickel

1973 • 183 citations

Spin-Polarized Photoelectrons from Nickel Single Crystals

1976 • 169 citations

Surface densities of states in cleaved transition metals

1975 • 147 citations

Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals model for the study of solids in the local density formalism

1977 • 144 citations

Change-in-self-consistent-field theory of the work function

1978 • 111 citations

Energy Bands for the (001) Surface of Aluminum

1973 • 111 citations

Extended-Hückel study of the (111), (100), and (110) surfaces of copper

1977 • 109 citations

Self-Consistent Calculation of Work Function, Charge Densities, and Local Densities of States for Cu(100)

1977 • 109 citations

BNDPKG. A package of programs for the calculation of electronic energy bands by the LCGO method

1978 • 102 citations

Energy bands, Compton profile, and optical conductivity of vanadium

1978 • 93 citations

Electronic Density of States at Transition-Metal Surfaces

1972 • 79 citations

Orthogonalized linear combinations of atomic orbitals: Application to the calculation of energy bands of Si III

1975 • 73 citations

Local Exchange-Correlation Potentials and the Fermi Surface of Copper

1972 • 70 citations

Energy bands of (100) iron thin films

1975 • 68 citations

Energy bands of (100) copper thin films

1976 • 67 citations

Absence of Surface States in Cu

1974 • 63 citations

Self-consistent pseudopotential calculations for the ideal (001) surface of Nb

1977 • 63 citations

Band structure of thin films

1975 • 58 citations

Energy bands of a (110) iron thin film

1976 • 56 citations

New interpretation of surface states in W and Mo

1975 • 56 citations

Surface Properties and the Photoelectron Spin Polarization of Nickel

1977 • 51 citations

Electronic Properties of Ultrathin<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>-Band Metal Films with Simple Metal or Vacuum Interfaces

1973 • 50 citations

Energy bands of (111) copper thin films

1976 • 50 citations

Surface<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>-Band Narrowing in Copper from Angle-Resolved X-Ray Photoelectron Spectra

1977 • 50 citations

Surface States on the (001) Surface of Nb

1976 • 49 citations

Energy bands of a (111) iron thin film

1976 • 41 citations

Self-consistent pseudopotential calculation of the electronic structure of Nb

1977 • 40 citations

Electronic States of CO Adsorbed onto Ni

1976 • 39 citations

O- and Na-Induced Surface States on Paramagnetic Ni

1974 • 33 citations

Absolute<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>2</mml:mn><mml:mrow><mml:msub><mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mfrac><mml:mrow><mml:mn>3</mml:mn></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:mfrac></mml:mrow></mml:msub></mml:mrow></mml:math>core binding energies and work functions of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>d</mml:mi></mml:math>transition-metal …

1977 • 28 citations

Ab initiocalculation of the energy bands of (001) iron thin films

1976 • 28 citations

Self-consistent studies of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>holes and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>-band narrowing in a Cu (001) monolayer

1978 • 26 citations

Energy bands of (110) copper thin films

1976 • 25 citations

Effects of Different Potentials on Iron Surface States

1975 • 24 citations

Comments on transition metal surface calculations

1977 • 18 citations

Electron density of states of thin copper films

1975 • 18 citations

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>d</mml:mi></mml:math>holes and the electronic structure of transition- and noble-metal thin films and surfaces

1977 • 11 citations