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Modelo de Tight-Binding×Método KKR×
CampoComputación cuánticaComputación cuántica
FamiliaMachine learningMachine learning
Año de origen19541947
Autor originalJohn Slater and George KosterJoop Korringa and Walter Kohn
TipoSimplified electronic structure modelElectronic structure method
Fuente seminalSlater, 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
Relacionados33
ResumenThe 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.
ScholarGateConjunto de datos
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  3. PUBLISHED
  1. v1
  2. 3 Fuentes
  3. PUBLISHED

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ScholarGateComparar métodos: Tight-Binding Model · KKR Method. Recuperado el 2026-06-15 de https://scholargate.app/es/compare