Сравнение на методи
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| Метод на Коринга-Кон-Ростокер (KKR)× | Метод на Хартри-Фок× | |
|---|---|---|
| Област | Квантови изчисления | Квантови изчисления |
| Семейство | Machine learning | Machine learning |
| Година на възникване≠ | 1947 | 1928 |
| Създател≠ | Joop Korringa and Walter Kohn | Douglas Hartree and Vladimir Fock |
| Тип | Electronic structure method | Electronic structure method |
| Основополагащ източник≠ | 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 ↗ |
| Други названия | KKR, multiple scattering | HF, self-consistent field |
| Свързани≠ | 3 | 4 |
| Резюме≠ | 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 от данни ↗ |
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