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Aproximarea Born-Oppenheimer×Metoda Hartree-Fock×
DomeniuCalcul cuanticCalcul cuantic
FamilieMachine learningMachine learning
Anul apariției19271928
Autorul originalMax Born and Julius Robert OppenheimerDouglas Hartree and Vladimir Fock
TipFundamental approximationElectronic structure method
Sursa seminalăBorn, 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 ↗
Denumiri alternativeBO approximation, clamped nucleiHF, self-consistent field
Înrudite34
RezumatThe 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.
ScholarGateSet de date
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  1. v1
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  3. PUBLISHED

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ScholarGateCompară metode: Born-Oppenheimer Approximation · Hartree-Fock Method. Preluat la 2026-06-17 de pe https://scholargate.app/ro/compare