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Hartree-Fock 方法×紧束缚模型×
领域量子计算量子计算
方法族Machine learningMachine learning
起源年份19281954
提出者Douglas Hartree and Vladimir FockJohn Slater and George Koster
类型Electronic structure methodSimplified electronic structure model
开创性文献Fock, 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 ↗
别名HF, self-consistent fieldTB model, hopping model
相关43
摘要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.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.
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ScholarGate方法对比: Hartree-Fock Method · Tight-Binding Model. 于 2026-06-18 检索自 https://scholargate.app/zh/compare