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Metoda KKR×Modelul Tight-Binding (TB)×
DomeniuCalcul cuanticCalcul cuantic
FamilieMachine learningMachine learning
Anul apariției19471954
Autorul originalJoop Korringa and Walter KohnJohn Slater and George Koster
TipElectronic structure methodSimplified electronic structure model
Sursa seminalăKorringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗
Denumiri alternativeKKR, multiple scatteringTB model, hopping model
Înrudite33
RezumatThe 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.The 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.
ScholarGateSet de date
  1. v1
  2. 3 Surse
  3. PUBLISHED
  1. v1
  2. 3 Surse
  3. PUBLISHED

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ScholarGateCompară metode: KKR Method · Tight-Binding Model. Preluat la 2026-06-15 de pe https://scholargate.app/ro/compare