Σύγκριση μεθόδων

	Θεωρία Συναρτησιακής Πυκνότητας	Θεωρία Διαταραχών Moller-Plesset
Πεδίο	Κβαντική Υπολογιστική	Κβαντική Υπολογιστική
Οικογένεια	Machine learning	Machine learning
Έτος προέλευσης	1965	1934
Δημιουργός	Walter Kohn	Christian Möller and Milton Plesset
Τύπος	Electronic structure method	Post-Hartree-Fock method
Θεμελιώδης πηγή	Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138.	Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622.
Εναλλακτικές ονομασίες	DFT, Kohn-Sham equations	MP2, MP3, MP4
Συναφείς	4	3
Σύνοψη	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.	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.