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Kaedah KKR×Kaedah Hartree-Fock×
BidangPerkomputeran KuantumPerkomputeran Kuantum
KeluargaMachine learningMachine learning
Tahun asal19471928
PengasasJoop Korringa and Walter KohnDouglas Hartree and Vladimir Fock
JenisElectronic structure methodElectronic structure method
Sumber perintisKorringa, 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 ↗
AliasKKR, multiple scatteringHF, self-consistent field
Berkaitan34
RingkasanThe 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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ScholarGateBandingkan kaedah: KKR Method · Hartree-Fock Method. Dicapai 2026-06-15 daripada https://scholargate.app/ms/compare