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Hartree-Fock Method×Teorie funkcionálu hustoty×
OborKvantové výpočtyKvantové výpočty
RodinaMachine learningMachine learning
Rok vzniku19281965
TvůrceDouglas Hartree and Vladimir FockWalter Kohn
TypElectronic structure methodElectronic structure method
Původní zdrojFock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗
Další názvyHF, self-consistent fieldDFT, Kohn-Sham equations
Příbuzné44
ShrnutíThe 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.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.
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ScholarGatePorovnat metody: Hartree-Fock Method · Density Functional Theory. Získáno 2026-06-18 z https://scholargate.app/cs/compare