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Hartree-Fock-methode×KKR-methode×
VakgebiedKwantumcomputingKwantumcomputing
FamilieMachine learningMachine learning
Jaar van ontstaan19281947
GrondleggerDouglas Hartree and Vladimir FockJoop Korringa and Walter Kohn
TypeElectronic structure methodElectronic structure method
Oorspronkelijke bronFock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗
AliassenHF, self-consistent fieldKKR, multiple scattering
Verwant43
SamenvattingThe 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.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.
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ScholarGateMethoden vergelijken: Hartree-Fock Method · KKR Method. Geraadpleegd op 2026-06-18 via https://scholargate.app/nl/compare