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Teoria funkcjonału gęstości×Metoda Hartreego-Focka×
DziedzinaObliczenia kwantoweObliczenia kwantowe
RodzinaMachine learningMachine learning
Rok powstania19651928
TwórcaWalter KohnDouglas Hartree and Vladimir Fock
TypElectronic structure methodElectronic structure method
Źródło pierwotneKohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
Inne nazwyDFT, Kohn-Sham equationsHF, self-consistent field
Pokrewne44
PodsumowanieDensity 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.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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  3. PUBLISHED

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ScholarGatePorównaj metody: Density Functional Theory · Hartree-Fock Method. Pobrano 2026-06-17 z https://scholargate.app/pl/compare