Krahasoni metodat

	Teoria e Perturbimit Moller-Plesset	Teoria e funksionit të densitetit
Fusha	Llogaritja kuantike	Llogaritja kuantike
Familja	Machine learning	Machine learning
Viti i origjinës	1934	1965
Krijuesi	Christian Möller and Milton Plesset	Walter Kohn
Lloji	Post-Hartree-Fock method	Electronic structure method
Burimi themelues	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.
Emërtime të tjera	MP2, MP3, MP4	DFT, Kohn-Sham equations
Të lidhura	3	4
Përmbledhja	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.