Σύγκριση μεθόδων
Εξετάστε τις επιλεγμένες μεθόδους δίπλα-δίπλα· οι γραμμές που διαφέρουν επισημαίνονται.
| Θεωρία Διαταραχών Moller-Plesset× | Μέθοδος Hartree-Fock× | |
|---|---|---|
| Πεδίο | Κβαντική Υπολογιστική | Κβαντική Υπολογιστική |
| Οικογένεια | Machine learning | Machine learning |
| Έτος προέλευσης≠ | 1934 | 1928 |
| Δημιουργός≠ | Christian Möller and Milton Plesset | Douglas Hartree and Vladimir Fock |
| Τύπος≠ | Post-Hartree-Fock method | Electronic structure method |
| Θεμελιώδης πηγή≠ | 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 ↗ |
| Εναλλακτικές ονομασίες≠ | MP2, MP3, MP4 | HF, self-consistent field |
| Συναφείς≠ | 3 | 4 |
| Σύνοψη≠ | 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. |
| ScholarGateΣύνολο δεδομένων ↗ |
|
|