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Tight-Binding Model×Dichtheidsfunctionaaltheorie×
VakgebiedKwantumcomputingKwantumcomputing
FamilieMachine learningMachine learning
Jaar van ontstaan19541965
GrondleggerJohn Slater and George KosterWalter Kohn
TypeSimplified electronic structure modelElectronic structure method
Oorspronkelijke bronSlater, 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 ↗
AliassenTB model, hopping modelDFT, Kohn-Sham equations
Verwant34
SamenvattingThe 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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ScholarGateMethoden vergelijken: Tight-Binding Model · Density Functional Theory. Geraadpleegd op 2026-06-17 via https://scholargate.app/nl/compare