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Teoria del Funzionale Densità×Modello Tight-Binding×
CampoCalcolo quantisticoCalcolo quantistico
FamigliaMachine learningMachine learning
Anno di origine19651954
IdeatoreWalter KohnJohn Slater and George Koster
TipoElectronic structure methodSimplified electronic structure model
Fonte seminaleKohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗
AliasDFT, Kohn-Sham equationsTB model, hopping model
Correlati43
SintesiDensity 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.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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ScholarGateConfronta i metodi: Density Functional Theory · Tight-Binding Model. Consultato il 2026-06-17 da https://scholargate.app/it/compare