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Méthode de Hartree-Fock×Méthode KKR×
DomaineInformatique quantiqueInformatique quantique
FamilleMachine learningMachine learning
Année d'origine19281947
Auteur d'origineDouglas Hartree and Vladimir FockJoop Korringa and Walter Kohn
TypeElectronic structure methodElectronic structure method
Source fondatriceFock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗
AliasHF, self-consistent fieldKKR, multiple scattering
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.The Korringa-Kohn-Rostoker (KKR) method is a powerful multiple-scattering approach for calculating electronic band structures and properties of periodic and disordered solids. Developed in the late 1940s, KKR treats electrons as scattering from atomic potentials in a muffin-tin geometry, enabling efficient calculations for both crystalline and amorphous systems.
ScholarGateJeu de données
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ScholarGateComparer des méthodes: Hartree-Fock Method · KKR Method. Consulté le 2026-06-18 sur https://scholargate.app/fr/compare