Porovnat metody
Prohlédněte si vybrané metody vedle sebe; řádky, které se liší, jsou zvýrazněny.
| Metoda KKR× | Model těsné vazby× | |
|---|---|---|
| Obor | Kvantové výpočty | Kvantové výpočty |
| Rodina | Machine learning | Machine learning |
| Rok vzniku≠ | 1947 | 1954 |
| Tvůrce≠ | Joop Korringa and Walter Kohn | John Slater and George Koster |
| Typ≠ | Electronic structure method | Simplified electronic structure model |
| Původní zdroj≠ | 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 ↗ |
| Další názvy | KKR, multiple scattering | TB model, hopping model |
| Příbuzné | 3 | 3 |
| Shrnutí≠ | 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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