Theory of atomic chemisorption on simple metals

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Handbook of Mathematical Functions

1966 • 42,275 citations

A Treatise on the Theory of Bessel Functions.

1923 • 9,834 citations

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

1976 • 3,562 citations

Explicit local exchange-correlation potentials

1971 • 3,266 citations

Theory of Metal Surfaces: Charge Density and Surface Energy

1970 • 1,886 citations

Self-Consistent Model of Hydrogen Chemisorption

1969 • 1,553 citations

Theory of Metal Surfaces: Work Function

1971 • 1,368 citations

Electron-ion pseudopotentials in metals

1966 • 1,211 citations

Theory of Metal Surfaces: Induced Surface Charge and Image Potential

1973 • 864 citations

The structure and chemistry of solid surfaces

1970 • 562 citations

Molecular Charge Distributions and Chemical Binding

1967 • 485 citations

Self-Consistent Many-Electron Theory of Electron Work Functions and Surface Potential Characteristics for Selected Metals

1969 • 452 citations

Advanced Quantum Theory

1966 • 431 citations

Theory of Work-Function Changes Induced by Alkali Adsorption

1971 • 408 citations

Compressibility and Binding Energy of the Simple Metals

1967 • 356 citations

Core-Level Binding-Energy Shifts in Metals

1978 • 309 citations

The indirect interaction between atoms or molecules adsorbed on metals

1967 • 292 citations

Surface Physics of Materials

1975 • 284 citations

Determination of the structure of ordered adsorbed layers by analysis of LEED spectra

1975 • 267 citations

Giant internal magnetic pressure and compressibility anomalies

1976 • 265 citations

Screening of a proton in an electron gas

1976 • 261 citations

Local density theory of metallic cohesion

1977 • 260 citations

Core holes in chemisorbed atoms

1977 • 255 citations

Anisotropic work function of clean and smooth low-index faces of aluminium

1976 • 245 citations

The electronic structure of solid surfaces

1976 • 225 citations

Self-Consistent Theory of the Chemisorption of H, Li, and O on a Metal Surface

1975 • 217 citations

Crystallographic Dependence of Chemisorption Bonding for Sulfur on (001), (110), and (111) Nickel

1974 • 213 citations

Theory of Chemisorption

1972 • 203 citations

Ordered Oxygen Overlayer Associated with Chemisorption State on Al(111)

1978 • 187 citations

Angular-resolved ultraviolet photoemission spectroscopy and its application to the layer compounds Ta<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Se</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and Ta<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">S</mml:mi></mml:mrow><mml:mrow><…

1975 • 178 citations

Determination of the Adsorption Site by Low-Energy Electron Diffraction for Iodine on Silver (111)

1973 • 168 citations

Molecular Charge Distributions and Chemical Binding. II. First-Row Diatomic Hydrides, AH

1967 • 165 citations

Chemical Trends in Atomic Adsorption on Simple Metals

1976 • 158 citations

On the theory of chemisorption

1974 • 153 citations

Self-Consistent Quantum Theory of Chemisorption: H on Si(111)

1975 • 153 citations

Density functional theory and molecular bonding. I. First-row diatomic molecules

1977 • 150 citations

Self-consistent screening of a proton in jellium

1977 • 148 citations

Multiple scattering by non-muffin-tin potentials: general formulation

1974 • 142 citations

Interpretation of the photoemission spectrum of chemisorbed carbon monoxide on Ni (100)

1975 • 125 citations

The electron density in a metal near a chemisorbed atom or molecule

1967 • 123 citations

Low-Energy-Electron Diffraction from Several Surfaces of Aluminum

1972 • 122 citations

Induced covalent bond mechanism of chemisorption

1971 • 120 citations

Charge Densities and Binding Energies in Hydrogen Chemisorption

1973 • 116 citations

Binding Energies for Different Adsorption Sites of Hydrogen on Simple Metals

1976 • 115 citations

Density-functional theory of chemisorption on metal surfaces

1975 • 105 citations

SCF-Xα-SW model calculations for metal clusters of nickel, copper, and silver and for the oxygen chemisorption on these metals

1976 • 104 citations

Study of sorption of oxygen on Al

1976 • 102 citations

Photoemission and the Electronic Properties of Surfaces

1979 • 91 citations

Cluster model calculations for electronic energy levels of oxygen chemisorbed on Ni

1975 • 78 citations

A theoretical interpretation of photoelectron energy spectra for oxygen chemisorbed on nickel

1974 • 77 citations

Induced covalent bond theory of chemisorption

1975 • 72 citations

Oxygen Chemisorption of a Small Aluminum Cluster

1976 • 71 citations

Chemisorption of oxygen atoms on aluminum (100): A molecular-orbital cluster study

1977 • 70 citations

Theoretical studies of atomic adsorption on nearly-free-electron-metal surfaces

1977 • 66 citations

Impurity screening near a metal surface

1970 • 57 citations

Hydrogen chemisorption on transition-metal surfaces: Tungsten (100)

1974 • 56 citations

Calculation of geometries and chemisorption energies of adatoms on simple metals

1977 • 52 citations

Dynamic aspects of surface physics

1974 • 52 citations

Hydrogen Chemisorption on Si: A New Type of Chemisorptive Bond

1977 • 49 citations

Self-consistent electronic structure calculation for nitrogen chemisorbed on copper (100)

1977 • 48 citations

Surface Energy of Simple Metals: Self-Consistent Inclusion of the Ion Potential

1976 • 44 citations

Pseudopotential Calculation of Transverse Effective Charges for III-V and II-VI Compounds of the Zinc-Blende Structure

1972 • 40 citations

Study of the theoretical dipole moment function and infrared transition matrix for the X 1Σ+ state of the HF molecule

1974 • 38 citations

Surface states and metal overlayers on the (110) surface of GaAs

1976 • 38 citations

Role of Spin Fluctuations in the Desorption of Hydrogen from Paramagnetic Metals

1970 • 35 citations

Static Screening by a Bounded Electron Gas

1972 • 33 citations

Some model calculations for adsorption on transition metals

1969 • 33 citations

Chemisorption on Transition-Metal Surfaces: Screening and Polarization versus the Intra-adsorbate Coulomb Interaction

1975 • 31 citations

Elementary reactions on surfaces

1976 • 29 citations

Incomplete orbitals-new elements in ionic bonding

1977 • 25 citations

The convergence of some cluster models of hydrogen chemisorption

1976 • 24 citations

MSXα total energy calculations with non-muffin-tin corrections for oxygen chemisorption on a nickel (001) surface

1977 • 22 citations

Theory of the chemical bond. 2. Dipole moments of alkali halide molecules, bond polarity, and differential charge affinity

1976 • 21 citations

Chemisorption with overcompleteness, nonorthogonality, and electron correlation: Nondegenerate ground state

1974 • 20 citations

Alkali-metal chemisorption

1975 • 18 citations

Binding of an adatom to a simple metal surface

1975 • 17 citations

Hydrogen chemisorption on jellium: A simple interpretation

1977 • 17 citations

Theory of the chemical bond. 1. Implicit perturbation theory and dipole moment model for diatomic molecules

1976 • 17 citations

Low-Energy-Electron Diffraction from Several Surfaces of Aluminum

1973 • 16 citations

Some aspects of the theory of chemisorption

1973 • 16 citations

The atomic arrangement in the 1×1 structure of a silicon−ordered monolayer on Mo{001}

1975 • 15 citations

Hydrogen chemisorption on jellium: Interpretation

1977 • 15 citations

Size effects and embedding in cluster models for hydrogen chemisorption

1977 • 12 citations

Chemisorption with overcompleteness, nonorthogonality, and electron correlation: II. Large<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>U</mml:mi></mml:math>limit

1976 • 11 citations

Chemisorption Theory, Electronic Structure, and Reactivity of Metal Surfaces

1976 • 11 citations