Порівняння методів
Переглядайте обрані методи поруч; рядки з відмінностями підсвічено.
| Модель щільних зв'язків× | Метод Гартрі-Фока× | Метод Коррінґи-Кона-Ростокера (KKR)× | |
|---|---|---|---|
| Галузь | Квантові обчислення | Квантові обчислення | Квантові обчислення |
| Родина | Machine learning | Machine learning | Machine learning |
| Рік появи≠ | 1954 | 1928 | 1947 |
| Автор методу≠ | John Slater and George Koster | Douglas Hartree and Vladimir Fock | Joop Korringa and Walter Kohn |
| Тип≠ | Simplified electronic structure model | Electronic structure method | Electronic structure method |
| Основоположне джерело≠ | Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ | Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗ |
| Інші назви | TB model, hopping model | HF, self-consistent field | KKR, multiple scattering |
| Пов'язані≠ | 3 | 4 | 3 |
| Підсумок≠ | 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 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 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. |
| ScholarGateНабір даних ↗ |
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