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Born-Oppenheimer 근사×Hartree-Fock (HF) 방법×
분야양자컴퓨팅양자컴퓨팅
계열Machine learningMachine learning
기원 연도19271928
창시자Max Born and Julius Robert OppenheimerDouglas Hartree and Vladimir Fock
유형Fundamental approximationElectronic structure method
원전Born, 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 ↗
별칭BO approximation, clamped nucleiHF, self-consistent field
관련34
요약The 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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