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Cietās saites modelis×Blīvuma funkcionāļu teorija×
NozareKvantu skaitļošanaKvantu skaitļošana
SaimeMachine learningMachine learning
Izcelsmes gads19541965
AutorsJohn Slater and George KosterWalter Kohn
TipsSimplified electronic structure modelElectronic structure method
PirmavotsSlater, 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 ↗
Citi nosaukumiTB model, hopping modelDFT, Kohn-Sham equations
Saistītās34
KopsavilkumsThe 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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ScholarGateSalīdzināt metodes: Tight-Binding Model · Density Functional Theory. Izgūts 2026-06-17 no https://scholargate.app/lv/compare