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Born-Oppenheimer Approximation×Metode Hārtija-Foka×
NozareKvantu skaitļošanaKvantu skaitļošana
SaimeMachine learningMachine learning
Izcelsmes gads19271928
AutorsMax Born and Julius Robert OppenheimerDouglas Hartree and Vladimir Fock
TipsFundamental approximationElectronic structure method
PirmavotsBorn, 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 ↗
Citi nosaukumiBO approximation, clamped nucleiHF, self-consistent field
Saistītās34
KopsavilkumsThe 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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ScholarGateSalīdzināt metodes: Born-Oppenheimer Approximation · Hartree-Fock Method. Izgūts 2026-06-18 no https://scholargate.app/lv/compare