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Aproksimasi Born-Oppenheimer×Kaedah Hartree-Fock×
BidangPerkomputeran KuantumPerkomputeran Kuantum
KeluargaMachine learningMachine learning
Tahun asal19271928
PengasasMax Born and Julius Robert OppenheimerDouglas Hartree and Vladimir Fock
JenisFundamental approximationElectronic structure method
Sumber perintisBorn, 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 ↗
AliasBO approximation, clamped nucleiHF, self-consistent field
Berkaitan34
RingkasanThe 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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ScholarGateBandingkan kaedah: Born-Oppenheimer Approximation · Hartree-Fock Method. Dicapai 2026-06-17 daripada https://scholargate.app/ms/compare