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Metoda Hartree-Fock×Teoria funcționalului densității×
DomeniuCalcul cuanticCalcul cuantic
FamilieMachine learningMachine learning
Anul apariției19281965
Autorul originalDouglas Hartree and Vladimir FockWalter Kohn
TipElectronic structure methodElectronic structure method
Sursa seminalăFock, 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 ↗
Denumiri alternativeHF, self-consistent fieldDFT, Kohn-Sham equations
Înrudite44
RezumatThe 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.
ScholarGateSet de date
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ScholarGateCompară metode: Hartree-Fock Method · Density Functional Theory. Preluat la 2026-06-18 de pe https://scholargate.app/ro/compare