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Teoria perturbației Möller-Plesset×Metoda Hartree-Fock×
DomeniuCalcul cuanticCalcul cuantic
FamilieMachine learningMachine learning
Anul apariției19341928
Autorul originalChristian Möller and Milton PlessetDouglas Hartree and Vladimir Fock
TipPost-Hartree-Fock methodElectronic structure method
Sursa seminalăMöller, 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 ↗
Denumiri alternativeMP2, MP3, MP4HF, self-consistent field
Înrudite34
RezumatMöller-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.
ScholarGateSet de date
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  2. 3 Surse
  3. PUBLISHED
  1. v1
  2. 3 Surse
  3. PUBLISHED

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ScholarGateCompară metode: Moller-Plesset Perturbation Theory · Hartree-Fock Method. Preluat la 2026-06-19 de pe https://scholargate.app/ro/compare