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Njia ya Hartree-Fock (HF)×Nadharia ya Usumbufu ya Moller-Plesset×
NyanjaUkokotoaji wa KwantamuUkokotoaji wa Kwantamu
FamiliaMachine learningMachine learning
Mwaka wa asili19281934
MwanzilishiDouglas Hartree and Vladimir FockChristian Möller and Milton Plesset
AinaElectronic structure methodPost-Hartree-Fock method
Chanzo asiliaFock, 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 ↗
Majina mbadalaHF, self-consistent fieldMP2, MP3, MP4
Zinazohusiana43
MuhtasariThe 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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ScholarGateLinganisha mbinu: Hartree-Fock Method · Moller-Plesset Perturbation Theory. Imepatikana 2026-06-19 kutoka https://scholargate.app/sw/compare