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Model tesného väznenia×Teória funkcionálu hustoty×
OdborKvantové výpočtyKvantové výpočty
RodinaMachine learningMachine learning
Rok vzniku19541965
TvorcaJohn Slater and George KosterWalter Kohn
TypSimplified electronic structure modelElectronic structure method
Pôvodný zdrojSlater, 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 ↗
Ďalšie názvyTB model, hopping modelDFT, Kohn-Sham equations
Príbuzné34
ZhrnutieThe 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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ScholarGatePorovnať metódy: Tight-Binding Model · Density Functional Theory. Získané 2026-06-17 z https://scholargate.app/sk/compare