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Perturbacijska teorija Møller-Plesset×Hartree-Fockova metoda×
PodručjeKvantno računarstvoKvantno računarstvo
ObiteljMachine learningMachine learning
Godina nastanka19341928
TvoracChristian Möller and Milton PlessetDouglas Hartree and Vladimir Fock
VrstaPost-Hartree-Fock methodElectronic structure method
Temeljni izvorMöller, 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 ↗
Drugi naziviMP2, MP3, MP4HF, self-consistent field
Srodne34
SažetakMöller-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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ScholarGateUsporedite metode: Moller-Plesset Perturbation Theory · Hartree-Fock Method. Preuzeto 2026-06-19 s https://scholargate.app/hr/compare