Journal ArticleDOI
On the theory of chemisorption
Wolfram Brenig,K. Schönhammer +1 more
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TLDR
In this article, a solution of the Anderson model for chemisorption including correlation effects is presented, which becomes exact in three limiting cases (largeU, smallU i.e., Hartree-Fock and the so-called symmetric strong coupling limit) of the intra atomic Coulomb repulsionU and the hopping termV.Abstract:
A solution of the Anderson model for chemisorption including correlation effects is presented. The solution becomes exact in three limiting cases (largeU, smallU i.e. Hartree-Fock and the so-called symmetric strong coupling limit) of the intra atomic Coulomb repulsionU and the hopping termV. Excellent agreement of our approximation with Schrieffer's exact numerical results for the binding energy of a small model system is found. Our results for the binding energy and the charge of the adsorbate show a significant improvement over the Hartree-Fock approximation. The single particle spectral density of the H-F approximation turns out to be even qualitatively wrong in the largeU strong coupling limit.read more
Citations
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Journal ArticleDOI
Theory of atomic chemisorption on simple metals
TL;DR: In this article, the atom-jellium model of chemisorption was used to study the properties of an atom bonded to the surface of a simple metal, including the electron-density distribution, the state density, the dipole moment, and the heat of adsorption.
Journal ArticleDOI
Theory of indirect interaction between chemisorbed atoms
TL;DR: In this paper, the theory of two chemisorbed atoms has been hindered by the very low symmetry of the problem, and a variety of elaborate many-body techniques have been successfully applied to these systems; there are several excellent recent reviews.
Journal ArticleDOI
Ultraviolet photoelectron spectra from hydrogen adsorbed on Ni(111) and Pd(111) surfaces
Journal ArticleDOI
Correlation effects on core level spectra of adsorbates
K. Schönhammer,Olle Gunnarsson +1 more
TL;DR: In this paper, the spectrum of core levels in adsorbates is calculated for a model which allows the transfer of screening charge to the adsorbate, and spin degeneracy and the Coulomb interaction of the valence electrons are included.
Book ChapterDOI
Chemisorption on Metals
TL;DR: This chapter attempts to give a general picture of the current state of knowledge of chemisorption on metal surfaces, and much of it is devoted to a description and discussion of the principal methods of investigation.
References
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Journal ArticleDOI
Localized Magnetic States in Metals
TL;DR: In this article, the conditions necessary in metals for the presence or absence of localized moments on solute ions containing inner shell electrons are analyzed, and a self-consistent Hartree-Fock treatment is applied to show that there is a sharp transition between the magnetic state and the nonmagnetic state, depending on the density of states of free electrons, the $s\ensuremath{-}d$ admixture matrix elements, and the Coulomb correlation integral in the $d$ shell.
Journal ArticleDOI
Double-time green functions in statistical physics
TL;DR: In this paper, the double-time temperature-dependent Green functions are used in the theory of irreversible processes, and the relation between the two functions and the Spectral Representation of Spectral Spectral Functions is discussed.
Journal ArticleDOI
Electron Correlations in Narrow Energy Bands. III. An Improved Solution
TL;DR: In this article, a more accurate solution of the model discussed in paper I is obtained, which predicts a finite lifetime for the pseudo-particles and also the Mott insulator-conductor transition.
Journal ArticleDOI
Self-Consistent Model of Hydrogen Chemisorption
TL;DR: In this paper, the Anderson Hamiltonian in Hartree-Fock approximation was used for the chemisorption of a hydrogen atom on a transition-metal surface, which includes the interelectronic interaction within the $1s$ orbital.
Journal ArticleDOI
The electron density in a metal near a chemisorbed atom or molecule
TL;DR: In this paper, the electron density in a metal will be disturbed when an atom or molecule is chemisorbed using a simple model, which describes the process as a sharing of the electrons of the system between the adsorbate and the metal.