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Mètode KKR×Model de Tight-Binding×
CampComputació quànticaComputació quàntica
FamíliaMachine learningMachine learning
Any d'origen19471954
Autor originalJoop Korringa and Walter KohnJohn Slater and George Koster
TipusElectronic structure methodSimplified electronic structure model
Font seminalKorringa, 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 ↗
ÀliesKKR, multiple scatteringTB model, hopping model
Relacionats33
ResumThe 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.
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ScholarGateCompara mètodes: KKR Method · Tight-Binding Model. Recuperat el 2026-06-15 de https://scholargate.app/ca/compare