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Hartree-Fock-methode×Möller-Plesset Perturbatietheorie×
VakgebiedKwantumcomputingKwantumcomputing
FamilieMachine learningMachine learning
Jaar van ontstaan19281934
GrondleggerDouglas Hartree and Vladimir FockChristian Möller and Milton Plesset
TypeElectronic structure methodPost-Hartree-Fock method
Oorspronkelijke bronFock, 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 ↗
AliassenHF, self-consistent fieldMP2, MP3, MP4
Verwant43
SamenvattingThe 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.
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ScholarGateMethoden vergelijken: Hartree-Fock Method · Moller-Plesset Perturbation Theory. Geraadpleegd op 2026-06-19 via https://scholargate.app/nl/compare