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Nadharia ya Msongamano wa Kitendakazi×Nadharia ya Usumbufu ya Moller-Plesset×
NyanjaUkokotoaji wa KwantamuUkokotoaji wa Kwantamu
FamiliaMachine learningMachine learning
Mwaka wa asili19651934
MwanzilishiWalter KohnChristian Möller and Milton Plesset
AinaElectronic structure methodPost-Hartree-Fock method
Chanzo asiliaKohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. link ↗
Majina mbadalaDFT, Kohn-Sham equationsMP2, MP3, MP4
Zinazohusiana43
MuhtasariDensity Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems.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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  1. v1
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  3. PUBLISHED

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ScholarGateLinganisha mbinu: Density Functional Theory · Moller-Plesset Perturbation Theory. Imepatikana 2026-06-19 kutoka https://scholargate.app/sw/compare