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Metode Hārtija-Foka×Blīvuma funkcionāļu teorija×
NozareKvantu skaitļošanaKvantu skaitļošana
SaimeMachine learningMachine learning
Izcelsmes gads19281965
AutorsDouglas Hartree and Vladimir FockWalter Kohn
TipsElectronic structure methodElectronic structure method
PirmavotsFock, 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 ↗
Citi nosaukumiHF, self-consistent fieldDFT, Kohn-Sham equations
Saistītās44
KopsavilkumsThe 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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ScholarGateSalīdzināt metodes: Hartree-Fock Method · Density Functional Theory. Izgūts 2026-06-18 no https://scholargate.app/lv/compare