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Metode Hartree-Fock×Teori Fungsional Kerapatan×
BidangKomputasi KuantumKomputasi Kuantum
KeluargaMachine learningMachine learning
Tahun asal19281965
PencetusDouglas Hartree and Vladimir FockWalter Kohn
TipeElectronic structure methodElectronic structure method
Sumber perintisFock, 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 ↗
AliasHF, self-consistent fieldDFT, Kohn-Sham equations
Terkait44
RingkasanThe 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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ScholarGateBandingkan metode: Hartree-Fock Method · Density Functional Theory. Diakses 2026-06-18 dari https://scholargate.app/id/compare