Сравнение на методи
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| Метод на Коринга-Кон-Ростокер (KKR)× | Модел на плътно свързване× | |
|---|---|---|
| Област | Квантови изчисления | Квантови изчисления |
| Семейство | Machine learning | Machine learning |
| Година на възникване≠ | 1947 | 1954 |
| Създател≠ | Joop Korringa and Walter Kohn | John Slater and George Koster |
| Тип≠ | Electronic structure method | Simplified electronic structure model |
| Основополагащ източник≠ | Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗ | Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗ |
| Други названия | KKR, multiple scattering | TB model, hopping model |
| Свързани | 3 | 3 |
| Резюме≠ | 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. |
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