手法を比較

	タイトバインディング法 (TB法)	密度汎関数理論
分野	量子コンピューティング	量子コンピューティング
系統	Machine learning	Machine learning
提唱年	1954	1965
提唱者	John Slater and George Koster	Walter Kohn
種類	Simplified electronic structure model	Electronic structure method
原典	Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524.	Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138.
別名	TB model, hopping model	DFT, Kohn-Sham equations
関連	3	4
概要	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.	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.