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Hartree-Fock (HF) 방법×Tight-Binding Model×
분야양자컴퓨팅양자컴퓨팅
계열Machine learningMachine learning
기원 연도19281954
창시자Douglas Hartree and Vladimir FockJohn Slater and George Koster
유형Electronic structure methodSimplified electronic structure model
원전Fock, 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 ↗
별칭HF, self-consistent fieldTB model, hopping model
관련43
요약The 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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