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Hartree-Fockova metoda×Perturbacijska teorija Møller-Plesset×
PodručjeKvantno računarstvoKvantno računarstvo
ObiteljMachine learningMachine learning
Godina nastanka19281934
TvoracDouglas Hartree and Vladimir FockChristian Möller and Milton Plesset
VrstaElectronic structure methodPost-Hartree-Fock method
Temeljni izvorFock, 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 ↗
Drugi naziviHF, self-consistent fieldMP2, MP3, MP4
Srodne43
SažetakThe 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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ScholarGateUsporedite metode: Hartree-Fock Method · Moller-Plesset Perturbation Theory. Preuzeto 2026-06-19 s https://scholargate.app/hr/compare