Сравнение методов
Просматривайте выбранные методы рядом; строки с различиями подсвечены.
| Метод связанных кластеров CCSD× | Теория возмущений Мёллера× | |
|---|---|---|
| Область | Квантовые вычисления | Квантовые вычисления |
| Семейство | Machine learning | Machine learning |
| Год появления≠ | 1966 | 1934 |
| Автор метода≠ | Jiri Cizek | Christian Möller and Milton Plesset |
| Тип≠ | Electronic correlation method | Post-Hartree-Fock method |
| Основополагающий источник≠ | Cizek, J. (1966). On the correlation problem in atomic and molecular systems. Journal of Chemical Physics, 45, 4256–4266. link ↗ | Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. link ↗ |
| Другие названия≠ | CCSD, CCSD(T) | MP2, MP3, MP4 |
| Связанные | 3 | 3 |
| Сводка≠ | Coupled Cluster theory, particularly CCSD (Singles and Doubles) and CCSD(T) with perturbative triples, is one of the most accurate methods for molecular electronic structure. Developed by Jiri Cizek in 1966, CC theory treats the ground state wave function as an exponential of excitation operators applied to the Hartree-Fock reference, enabling systematic treatment of electron correlation with guaranteed size consistency. | 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. |
| ScholarGateНабор данных ↗ |
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