方法对比

	KKR 方法	紧束缚模型
领域	量子计算	量子计算
方法族	Machine learning	Machine learning
起源年份	1947	1954
提出者	Joop Korringa and Walter Kohn	John Slater and George Koster
类型	Electronic structure method	Simplified electronic structure model
开创性文献	Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400.	Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524.
别名	KKR, multiple scattering	TB model, hopping model
相关	3	3
摘要	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.	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.