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Model Pengikatan-Tegas×Kaedah Hartree-Fock×Kaedah KKR×
BidangPerkomputeran KuantumPerkomputeran KuantumPerkomputeran Kuantum
KeluargaMachine learningMachine learningMachine learning
Tahun asal195419281947
PengasasJohn Slater and George KosterDouglas Hartree and Vladimir FockJoop Korringa and Walter Kohn
JenisSimplified electronic structure modelElectronic structure methodElectronic structure method
Sumber perintisSlater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗Fock, 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 ↗
AliasTB model, hopping modelHF, self-consistent fieldKKR, multiple scattering
Berkaitan343
RingkasanThe 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.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.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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ScholarGateBandingkan kaedah: Tight-Binding Model · Hartree-Fock Method · KKR Method. Dicapai 2026-06-17 daripada https://scholargate.app/ms/compare