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Modèle de liaison forte×Méthode KKR×
DomaineInformatique quantiqueInformatique quantique
FamilleMachine learningMachine learning
Année d'origine19541947
Auteur d'origineJohn Slater and George KosterJoop Korringa and Walter Kohn
TypeSimplified electronic structure modelElectronic structure method
Source fondatriceSlater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗
AliasTB model, hopping modelKKR, multiple scattering
Apparentées33
RésuméThe Tight-Binding (TB) model is a simplified semi-empirical approach for computing electronic band structures and properties of solids. Formulated by Slater and Koster in 1954, TB treats electron hopping between atomic sites as the dominant interaction, enabling efficient calculations of band dispersion for a wide variety of materials.The Korringa-Kohn-Rostoker (KKR) method is a powerful multiple-scattering approach for calculating electronic band structures and properties of periodic and disordered solids. Developed in the late 1940s, KKR treats electrons as scattering from atomic potentials in a muffin-tin geometry, enabling efficient calculations for both crystalline and amorphous systems.
ScholarGateJeu de données
  1. v1
  2. 3 Sources
  3. PUBLISHED
  1. v1
  2. 3 Sources
  3. PUBLISHED

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ScholarGateComparer des méthodes: Tight-Binding Model · KKR Method. Consulté le 2026-06-15 sur https://scholargate.app/fr/compare