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روش KKR×مدل بست محدود (Tight-Binding Model)×
حوزهمحاسبات کوانتومیمحاسبات کوانتومی
خانوادهMachine learningMachine learning
سال پیدایش19471954
پدیدآورJoop Korringa and Walter KohnJohn Slater and George Koster
نوعElectronic structure methodSimplified electronic structure model
منبع بنیادینKorringa, 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 ↗
نام‌های دیگرKKR, multiple scatteringTB model, hopping model
مرتبط33
خلاصهThe 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.
ScholarGateمجموعه‌داده
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  1. v1
  2. 3 منابع
  3. PUBLISHED

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ScholarGateمقایسهٔ روش‌ها: KKR Method · Tight-Binding Model. بازیابی‌شده در 2026-06-15 از https://scholargate.app/fa/compare