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Model uske veze (TB)×Metoda KKR×
PodručjeKvantno računarstvoKvantno računarstvo
ObiteljMachine learningMachine learning
Godina nastanka19541947
TvoracJohn Slater and George KosterJoop Korringa and Walter Kohn
VrstaSimplified electronic structure modelElectronic structure method
Temeljni izvorSlater, 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 ↗
Drugi naziviTB model, hopping modelKKR, multiple scattering
Srodne33
SažetakThe 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.
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Idi na pretraživanje Preuzmi prezentaciju

ScholarGateUsporedite metode: Tight-Binding Model · KKR Method. Preuzeto 2026-06-15 s https://scholargate.app/hr/compare