Porovnat metody
Prohlédněte si vybrané metody vedle sebe; řádky, které se liší, jsou zvýrazněny.
| Möllerova-Plessetova perturbační teorie× | Hartree-Fock Method× | |
|---|---|---|
| Obor | Kvantové výpočty | Kvantové výpočty |
| Rodina | Machine learning | Machine learning |
| Rok vzniku≠ | 1934 | 1928 |
| Tvůrce≠ | Christian Möller and Milton Plesset | Douglas Hartree and Vladimir Fock |
| Typ≠ | Post-Hartree-Fock method | Electronic structure method |
| Původní zdroj≠ | 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 ↗ |
| Další názvy≠ | MP2, MP3, MP4 | HF, self-consistent field |
| Příbuzné≠ | 3 | 4 |
| Shrnutí≠ | 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. |
| ScholarGateDatová sada ↗ |
|
|