Vertaile menetelmiä

	Tiheysfunktionaaliteoriatiheysfunktionaaliteoria	Hartree-Fock-menetelmä
Tieteenala	Kvanttilaskenta	Kvanttilaskenta
Menetelmäperhe	Machine learning	Machine learning
Syntyvuosi	1965	1928
Kehittäjä	Walter Kohn	Douglas Hartree and Vladimir Fock
Tyyppi	Electronic structure method	Electronic structure method
Alkuperäislähde	Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138.	Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148.
Rinnakkaisnimet	DFT, Kohn-Sham equations	HF, self-consistent field
Liittyvät	4	4
Tiivistelmä	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.	The Hartree-Fock (HF) method is a foundational self-consistent field approach for solving the many-electron Schrödinger equation. Developed independently by Douglas Hartree and Vladimir Fock in the late 1920s, it approximates the ground state by assuming electrons move in an average field generated by all other electrons, enabling tractable quantum chemistry calculations.