Сравнение методов
Просматривайте выбранные методы рядом; строки с различиями подсвечены.
| Теория возмущений Мёллера× | Метод Хартри-Фока× | |
|---|---|---|
| Область | Квантовые вычисления | Квантовые вычисления |
| Семейство | Machine learning | Machine learning |
| Год появления≠ | 1934 | 1928 |
| Автор метода≠ | Christian Möller and Milton Plesset | Douglas Hartree and Vladimir Fock |
| Тип≠ | Post-Hartree-Fock method | Electronic structure method |
| Основополагающий источник≠ | Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. link ↗ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ |
| Другие названия≠ | MP2, MP3, MP4 | HF, self-consistent field |
| Связанные≠ | 3 | 4 |
| Сводка≠ | Möller-Plesset perturbation theory is a post-Hartree-Fock method that systematically corrects the HF reference by treating electron correlation as a perturbation. Introduced in 1934, MP theory provides increasingly accurate energy estimates (MP2, MP3, MP4, ...) by expanding the correlation energy in orders of perturbation. | 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 ↗ |
|
|