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KKR विधि×टाइट-बाइंडिंग मॉडल×
क्षेत्रक्वांटम कंप्यूटिंगक्वांटम कंप्यूटिंग
परिवारMachine learningMachine learning
उद्भव वर्ष19471954
प्रवर्तकJoop Korringa and Walter KohnJohn Slater and George Koster
प्रकारElectronic structure methodSimplified electronic structure model
मौलिक स्रोतKorringa, 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 ↗
उपनामKKR, multiple scatteringTB model, hopping model
संबंधित33
सारांशThe 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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