Comparar métodos
Examine os métodos selecionados lado a lado; as linhas que diferem ficam destacadas.
| Modelo Tight-Binding× | Método KKR× | |
|---|---|---|
| Área | Computação quântica | Computação quântica |
| Família | Machine learning | Machine learning |
| Ano de origem≠ | 1954 | 1947 |
| Autor original≠ | John Slater and George Koster | Joop Korringa and Walter Kohn |
| Tipo≠ | Simplified electronic structure model | Electronic structure method |
| Fonte seminal≠ | 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 ↗ |
| Outros nomes | TB model, hopping model | KKR, multiple scattering |
| Relacionados | 3 | 3 |
| Resumo≠ | 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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