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Méthode de Hartree-Fock×Monte-Carlo quantique×
DomaineInformatique quantiqueInformatique quantique
FamilleMachine learningMachine learning
Année d'origine19281953
Auteur d'origineDouglas Hartree and Vladimir FockNicholas Metropolis and colleagues
TypeElectronic structure methodMonte Carlo simulation
Source fondatriceFock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Metropolis, N., Rosenbluth, A. W., et al. (1953). Equation of state calculations by fast computing machines. Journal of Chemical Physics, 21, 1087–1092. DOI ↗
AliasHF, self-consistent fieldQMC, variational Monte Carlo, diffusion Monte Carlo
Apparentées43
RésuméThe 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.Quantum Monte Carlo (QMC) is a stochastic computational method for computing ground state properties of quantum many-body systems. Combining classical Monte Carlo sampling with quantum mechanics, QMC approaches are among the most accurate methods available for electronic structure and condensed matter physics, achieving sub-percent accuracy for many systems.
ScholarGateJeu de données
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  2. 3 Sources
  3. PUBLISHED
  1. v1
  2. 3 Sources
  3. PUBLISHED

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ScholarGateComparer des méthodes: Hartree-Fock Method · Quantum Monte Carlo. Consulté le 2026-06-19 sur https://scholargate.app/fr/compare