Compara mètodes
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| Mètode de Hartree-Fock× | Model de Tight-Binding× | |
|---|---|---|
| Camp | Computació quàntica | Computació quàntica |
| Família | Machine learning | Machine learning |
| Any d'origen≠ | 1928 | 1954 |
| Autor original≠ | Douglas Hartree and Vladimir Fock | John Slater and George Koster |
| Tipus≠ | Electronic structure method | Simplified electronic structure model |
| Font seminal≠ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ | Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗ |
| Àlies | HF, self-consistent field | TB model, hopping model |
| Relacionats≠ | 4 | 3 |
| Resum≠ | The Hartree-Fock (HF) method is a foundational self-consistent field approach for solving the many-electron Schrödinger equation. Developed independently by Douglas Hartree and Vladimir Fock in the late 1920s, it approximates the ground state by assuming electrons move in an average field generated by all other electrons, enabling tractable quantum chemistry calculations. | 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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