So sánh phương pháp

	Mô hình Tight-Binding (TB)	Lý thuyết Hàm Mật độ
Lĩnh vực	Tính toán lượng tử	Tính toán lượng tử
Họ	Machine learning	Machine learning
Năm ra đời	1954	1965
Người khởi xướng	John Slater and George Koster	Walter Kohn
Loại	Simplified electronic structure model	Electronic structure method
Công trình gốc	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.
Tên gọi khác	TB model, hopping model	DFT, Kohn-Sham equations
Liên quan	3	4
Tóm tắt	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.