Compară metode
Examinează metodele selectate una lângă alta; rândurile care diferă sunt evidențiate.
| Teoria perturbației Möller-Plesset× | Metoda Hartree-Fock× | |
|---|---|---|
| Domeniu | Calcul cuantic | Calcul cuantic |
| Familie | Machine learning | Machine learning |
| Anul apariției≠ | 1934 | 1928 |
| Autorul original≠ | Christian Möller and Milton Plesset | Douglas Hartree and Vladimir Fock |
| Tip≠ | Post-Hartree-Fock method | Electronic structure method |
| Sursa seminală≠ | 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 ↗ |
| Denumiri alternative≠ | MP2, MP3, MP4 | HF, self-consistent field |
| Înrudite≠ | 3 | 4 |
| Rezumat≠ | 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. |
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