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Model wiązań silnych (Tight-Binding, TB)×Teoria funkcjonału gęstości×Metoda Hartreego-Focka×
DziedzinaObliczenia kwantoweObliczenia kwantoweObliczenia kwantowe
RodzinaMachine learningMachine learningMachine learning
Rok powstania195419651928
TwórcaJohn Slater and George KosterWalter KohnDouglas Hartree and Vladimir Fock
TypSimplified electronic structure modelElectronic structure methodElectronic structure method
Źródło pierwotneSlater, 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 ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
Inne nazwyTB model, hopping modelDFT, Kohn-Sham equationsHF, self-consistent field
Pokrewne344
PodsumowanieThe 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.The Hartree-Fock (HF) method is a foundational self-consistent field approach for solving the many-electron Schrödinger equation. Developed independently by Douglas Hartree and Vladimir Fock in the late 1920s, it approximates the ground state by assuming electrons move in an average field generated by all other electrons, enabling tractable quantum chemistry calculations.
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ScholarGatePorównaj metody: Tight-Binding Model · Density Functional Theory · Hartree-Fock Method. Pobrano 2026-06-18 z https://scholargate.app/pl/compare