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Metoda KKR×Model uske veze (TB)×
PodručjeKvantno računarstvoKvantno računarstvo
ObiteljMachine learningMachine learning
Godina nastanka19471954
TvoracJoop Korringa and Walter KohnJohn Slater and George Koster
VrstaElectronic structure methodSimplified electronic structure model
Temeljni izvorKorringa, 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 ↗
Drugi naziviKKR, multiple scatteringTB model, hopping model
Srodne33
SažetakThe 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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ScholarGateUsporedite metode: KKR Method · Tight-Binding Model. Preuzeto 2026-06-15 s https://scholargate.app/hr/compare