Сравнение методов
Просматривайте выбранные методы рядом; строки с различиями подсвечены.
| Метод KKR× | Метод Хартри-Фока× | |
|---|---|---|
| Область | Квантовые вычисления | Квантовые вычисления |
| Семейство | Machine learning | Machine learning |
| Год появления≠ | 1947 | 1928 |
| Автор метода≠ | Joop Korringa and Walter Kohn | Douglas Hartree and Vladimir Fock |
| Тип | Electronic structure method | Electronic structure method |
| Основополагающий источник≠ | Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ |
| Другие названия | KKR, multiple scattering | HF, self-consistent field |
| Связанные≠ | 3 | 4 |
| Сводка≠ | 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 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. |
| ScholarGateНабор данных ↗ |
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