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Méthode de Hartree-Fock×Théorie des perturbations de Möller-Plesset×
DomaineInformatique quantiqueInformatique quantique
FamilleMachine learningMachine learning
Année d'origine19281934
Auteur d'origineDouglas Hartree and Vladimir FockChristian Möller and Milton Plesset
TypeElectronic structure methodPost-Hartree-Fock method
Source fondatriceFock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. link ↗
AliasHF, self-consistent fieldMP2, MP3, MP4
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.Möller-Plesset perturbation theory is a post-Hartree-Fock method that systematically corrects the HF reference by treating electron correlation as a perturbation. Introduced in 1934, MP theory provides increasingly accurate energy estimates (MP2, MP3, MP4, ...) by expanding the correlation energy in orders of perturbation.
ScholarGateJeu de données
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  1. v1
  2. 3 Sources
  3. PUBLISHED

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ScholarGateComparer des méthodes: Hartree-Fock Method · Moller-Plesset Perturbation Theory. Consulté le 2026-06-19 sur https://scholargate.app/fr/compare