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タイトバインディング法 (TB法)×ハートリー-フォック法×
分野量子コンピューティング量子コンピューティング
系統Machine learningMachine learning
提唱年19541928
提唱者John Slater and George KosterDouglas Hartree and Vladimir Fock
種類Simplified electronic structure modelElectronic structure method
原典Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
別名TB model, hopping modelHF, self-consistent field
関連34
概要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.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.
ScholarGateデータセット
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  2. 3 出典
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  1. v1
  2. 3 出典
  3. PUBLISHED

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ScholarGate手法を比較: Tight-Binding Model · Hartree-Fock Method. 2026-06-17に以下より取得 https://scholargate.app/ja/compare