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Born-Oppenheimerova aproksimacija×Hartree-Fockova metoda×
PodručjeKvantno računarstvoKvantno računarstvo
ObiteljMachine learningMachine learning
Godina nastanka19271928
TvoracMax Born and Julius Robert OppenheimerDouglas Hartree and Vladimir Fock
VrstaFundamental approximationElectronic structure method
Temeljni izvorBorn, 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 ↗
Drugi naziviBO approximation, clamped nucleiHF, self-consistent field
Srodne34
SažetakThe 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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ScholarGateUsporedite metode: Born-Oppenheimer Approximation · Hartree-Fock Method. Preuzeto 2026-06-18 s https://scholargate.app/hr/compare