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Metode KKR×Cietās saites modelis×
NozareKvantu skaitļošanaKvantu skaitļošana
SaimeMachine learningMachine learning
Izcelsmes gads19471954
AutorsJoop Korringa and Walter KohnJohn Slater and George Koster
TipsElectronic structure methodSimplified electronic structure model
PirmavotsKorringa, 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 ↗
Citi nosaukumiKKR, multiple scatteringTB model, hopping model
Saistītās33
KopsavilkumsThe 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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ScholarGateSalīdzināt metodes: KKR Method · Tight-Binding Model. Izgūts 2026-06-15 no https://scholargate.app/lv/compare