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Möller-Plesset perturbationsteori×Hartree-Fock Metoden×
FagområdeKvanteberegningKvanteberegning
FamilieMachine learningMachine learning
Oprindelsesår19341928
OphavspersonChristian Möller and Milton PlessetDouglas Hartree and Vladimir Fock
TypePost-Hartree-Fock methodElectronic structure method
Oprindelig kildeMöller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. link ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
AliasserMP2, MP3, MP4HF, self-consistent field
Relaterede34
ResuméMöller-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.The 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.
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ScholarGateSammenlign metoder: Moller-Plesset Perturbation Theory · Hartree-Fock Method. Hentet 2026-06-19 fra https://scholargate.app/da/compare