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Tight-Binding Model×밀도 범함수 이론×Hartree-Fock (HF) 방법×
분야양자컴퓨팅양자컴퓨팅양자컴퓨팅
계열Machine learningMachine learningMachine learning
기원 연도195419651928
창시자John Slater and George KosterWalter KohnDouglas Hartree and Vladimir Fock
유형Simplified electronic structure modelElectronic structure methodElectronic structure method
원전Slater, 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 ↗
별칭TB model, hopping modelDFT, Kohn-Sham equationsHF, self-consistent field
관련344
요약The 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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ScholarGate방법 비교: Tight-Binding Model · Density Functional Theory · Hartree-Fock Method. 2026-06-18에 다음에서 검색함: https://scholargate.app/ko/compare