ScholarGate
Asystent

Porównaj metody

Przeglądaj wybrane metody obok siebie; wiersze, które się różnią, są wyróżnione.

Przybliżenie Borna-Oppenheimera×Teoria funkcjonału gęstości×
DziedzinaObliczenia kwantoweObliczenia kwantowe
RodzinaMachine learningMachine learning
Rok powstania19271965
TwórcaMax Born and Julius Robert OppenheimerWalter Kohn
TypFundamental approximationElectronic structure method
Źródło pierwotneBorn, M., Oppenheimer, J. R. (1927). Zur Quantentheorie der Moleküle. Annalen der Physik, 84, 457–484. DOI ↗Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗
Inne nazwyBO approximation, clamped nucleiDFT, Kohn-Sham equations
Pokrewne34
PodsumowanieThe 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.Density Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems.
ScholarGateZbiór danych
  1. v1
  2. 3 Źródła
  3. PUBLISHED
  1. v1
  2. 3 Źródła
  3. PUBLISHED

Przejdź do wyszukiwania Pobierz slajdy

ScholarGatePorównaj metody: Born-Oppenheimer Approximation · Density Functional Theory. Pobrano 2026-06-17 z https://scholargate.app/pl/compare