Krahasoni metodat

	Metoda KKR	Teoria e funksionit të densitetit	Metoda Hartree-Fock
Fusha	Llogaritja kuantike	Llogaritja kuantike	Llogaritja kuantike
Familja	Machine learning	Machine learning	Machine learning
Viti i origjinës	1947	1965	1928
Krijuesi	Joop Korringa and Walter Kohn	Walter Kohn	Douglas Hartree and Vladimir Fock
Lloji	Electronic structure method	Electronic structure method	Electronic structure method
Burimi themelues	Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400.	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.
Emërtime të tjera	KKR, multiple scattering	DFT, Kohn-Sham equations	HF, self-consistent field
Të lidhura	3	4	4
Përmbledhja	The Korringa-Kohn-Rostoker (KKR) method is a powerful multiple-scattering approach for calculating electronic band structures and properties of periodic and disordered solids. Developed in the late 1940s, KKR treats electrons as scattering from atomic potentials in a muffin-tin geometry, enabling efficient calculations for both crystalline and amorphous systems.	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.