Methoden vergleichen

	Born-Oppenheimer-Näherung	Hartree-Fock-Methode
Fachgebiet	Quantencomputing	Quantencomputing
Familie	Machine learning	Machine learning
Entstehungsjahr	1927	1928
Urheber	Max Born and Julius Robert Oppenheimer	Douglas Hartree and Vladimir Fock
Typ	Fundamental approximation	Electronic structure method
Wegweisende Quelle	Born, M., Oppenheimer, J. R. (1927). Zur Quantentheorie der Moleküle. Annalen der Physik, 84, 457–484.	Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148.
Aliasnamen	BO approximation, clamped nuclei	HF, self-consistent field
Verwandt	3	4
Zusammenfassung	The 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.