ScholarGate
Msaidizi

Linganisha mbinu

Pitia mbinu ulizochagua bega kwa bega; safu zinazotofautiana zinaangaziwa.

Nadharia ya Msongamano wa Kitendakazi×Njia ya KKR×
NyanjaUkokotoaji wa KwantamuUkokotoaji wa Kwantamu
FamiliaMachine learningMachine learning
Mwaka wa asili19651947
MwanzilishiWalter KohnJoop Korringa and Walter Kohn
AinaElectronic structure methodElectronic structure method
Chanzo asiliaKohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗
Majina mbadalaDFT, Kohn-Sham equationsKKR, multiple scattering
Zinazohusiana43
MuhtasariDensity 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 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.
ScholarGateSeti ya data
  1. v1
  2. 3 Vyanzo
  3. PUBLISHED
  1. v1
  2. 3 Vyanzo
  3. PUBLISHED

Nenda kwenye utafutaji Pakua slaidi

ScholarGateLinganisha mbinu: Density Functional Theory · KKR Method. Imepatikana 2026-06-18 kutoka https://scholargate.app/sw/compare