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Born-Oppenheimer Approximation×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19271928
提唱者Max Born and Julius Robert OppenheimerDouglas Hartree and Vladimir Fock
種類Fundamental approximationElectronic structure method
原典Born, M., Oppenheimer, J. R. (1927). Zur Quantentheorie der Moleküle. Annalen der Physik, 84, 457–484. DOI ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
別名BO approximation, clamped nucleiHF, self-consistent field
関連34
概要The Born-Oppenheimer (BO) Approximation is a foundational assumption in molecular quantum mechanics that nuclei can be treated as fixed while solving for electrons, and vice versa. Introduced by Born and Oppenheimer in 1927, this separation reduces the complex many-body electronic-nuclear problem to a sequence of simpler problems, enabling nearly all molecular calculations.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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ScholarGate手法を比較: Born-Oppenheimer Approximation · Hartree-Fock Method. 2026-06-18に以下より取得 https://scholargate.app/ja/compare