Sammenlign metoder

	Möller-Plesset perturbationsteori	Tæthedsfunktionalteori
Fagområde	Kvanteberegning	Kvanteberegning
Familie	Machine learning	Machine learning
Oprindelsesår	1934	1965
Ophavsperson	Christian Möller and Milton Plesset	Walter Kohn
Type	Post-Hartree-Fock method	Electronic structure method
Oprindelig kilde	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.
Aliasser	MP2, MP3, MP4	DFT, Kohn-Sham equations
Relaterede	3	4
Resumé	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.