Сравнение методов
Просматривайте выбранные методы рядом; строки с различиями подсвечены.
| Приближение Борна× | Метод Хартри-Фока× | |
|---|---|---|
| Область | Квантовые вычисления | Квантовые вычисления |
| Семейство | Machine learning | Machine learning |
| Год появления≠ | 1927 | 1928 |
| Автор метода≠ | Max Born and Julius Robert Oppenheimer | Douglas Hartree and Vladimir Fock |
| Тип≠ | Fundamental approximation | Electronic structure method |
| Основополагающий источник≠ | Born, M., Oppenheimer, J. R. (1927). Zur Quantentheorie der Moleküle. Annalen der Physik, 84, 457–484. DOI ↗ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ |
| Другие названия | BO approximation, clamped nuclei | HF, self-consistent field |
| Связанные≠ | 3 | 4 |
| Сводка≠ | The Born-Oppenheimer (BO) Approximation is a foundational assumption in molecular quantum mechanics that nuclei can be treated as fixed while solving for electrons, and vice versa. Introduced by Born and Oppenheimer in 1927, this separation reduces the complex many-body electronic-nuclear problem to a sequence of simpler problems, enabling nearly all molecular calculations. | 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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