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Teoria del Funzionale Densità×Metodo di Hartree-Fock×
CampoCalcolo quantisticoCalcolo quantistico
FamigliaMachine learningMachine learning
Anno di origine19651928
IdeatoreWalter KohnDouglas Hartree and Vladimir Fock
TipoElectronic structure methodElectronic structure method
Fonte seminaleKohn, 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 ↗
AliasDFT, Kohn-Sham equationsHF, self-consistent field
Correlati44
SintesiDensity 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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ScholarGateConfronta i metodi: Density Functional Theory · Hartree-Fock Method. Consultato il 2026-06-17 da https://scholargate.app/it/compare