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Model Pengikatan-Tegas×Teori Fungsian Ketumpatan×
BidangPerkomputeran KuantumPerkomputeran Kuantum
KeluargaMachine learningMachine learning
Tahun asal19541965
PengasasJohn Slater and George KosterWalter Kohn
JenisSimplified electronic structure modelElectronic structure method
Sumber perintisSlater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗
AliasTB model, hopping modelDFT, Kohn-Sham equations
Berkaitan34
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.Density Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems.
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ScholarGateBandingkan kaedah: Tight-Binding Model · Density Functional Theory. Dicapai 2026-06-15 daripada https://scholargate.app/ms/compare