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