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टाइट-बाइंडिंग मॉडल×घनत्व कार्यात्मक सिद्धांत×
क्षेत्रक्वांटम कंप्यूटिंगक्वांटम कंप्यूटिंग
परिवारMachine learningMachine learning
उद्भव वर्ष19541965
प्रवर्तकJohn Slater and George KosterWalter Kohn
प्रकारSimplified electronic structure modelElectronic structure method
मौलिक स्रोतSlater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗
उपनामTB model, hopping modelDFT, Kohn-Sham equations
संबंधित34
सारांशThe 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.Density Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems.
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