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Kaedah KKR×Model Pengikatan-Tegas×
BidangPerkomputeran KuantumPerkomputeran Kuantum
KeluargaMachine learningMachine learning
Tahun asal19471954
PengasasJoop Korringa and Walter KohnJohn Slater and George Koster
JenisElectronic structure methodSimplified electronic structure model
Sumber perintisKorringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗
AliasKKR, multiple scatteringTB model, hopping model
Berkaitan33
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 Tight-Binding (TB) model is a simplified semi-empirical approach for computing electronic band structures and properties of solids. Formulated by Slater and Koster in 1954, TB treats electron hopping between atomic sites as the dominant interaction, enabling efficient calculations of band dispersion for a wide variety of materials.
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ScholarGateBandingkan kaedah: KKR Method · Tight-Binding Model. Dicapai 2026-06-15 daripada https://scholargate.app/ms/compare