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KKR-methode×Hartree-Fock-methode×
VakgebiedKwantumcomputingKwantumcomputing
FamilieMachine learningMachine learning
Jaar van ontstaan19471928
GrondleggerJoop Korringa and Walter KohnDouglas Hartree and Vladimir Fock
TypeElectronic structure methodElectronic structure method
Oorspronkelijke bronKorringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
AliassenKKR, multiple scatteringHF, self-consistent field
Verwant34
SamenvattingThe 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.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.
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ScholarGateMethoden vergelijken: KKR Method · Hartree-Fock Method. Geraadpleegd op 2026-06-17 via https://scholargate.app/nl/compare