Porovnať metódy

	Möllerova-Plessetova perturbačná teória	Teória funkcionálu hustoty
Odbor	Kvantové výpočty	Kvantové výpočty
Rodina	Machine learning	Machine learning
Rok vzniku	1934	1965
Tvorca	Christian Möller and Milton Plesset	Walter Kohn
Typ	Post-Hartree-Fock method	Electronic structure method
Pôvodný zdroj	Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622.	Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138.
Ďalšie názvy	MP2, MP3, MP4	DFT, Kohn-Sham equations
Príbuzné	3	4
Zhrnutie	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.	Density 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.