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Metoda Hartree-Fock×Modelul Tight-Binding (TB)×
DomeniuCalcul cuanticCalcul cuantic
FamilieMachine learningMachine learning
Anul apariției19281954
Autorul originalDouglas Hartree and Vladimir FockJohn Slater and George Koster
TipElectronic structure methodSimplified electronic structure model
Sursa seminalăFock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗
Denumiri alternativeHF, self-consistent fieldTB model, hopping model
Înrudite43
RezumatThe 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.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.
ScholarGateSet de date
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  1. v1
  2. 3 Surse
  3. PUBLISHED

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ScholarGateCompară metode: Hartree-Fock Method · Tight-Binding Model. Preluat la 2026-06-17 de pe https://scholargate.app/ro/compare