مقایسهٔ روشها
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| تقریب بورن-اوپنهایمر× | روش هارتری-فاک× | |
|---|---|---|
| حوزه | محاسبات کوانتومی | محاسبات کوانتومی |
| خانواده | Machine learning | Machine learning |
| سال پیدایش≠ | 1927 | 1928 |
| پدیدآور≠ | Max Born and Julius Robert Oppenheimer | Douglas Hartree and Vladimir Fock |
| نوع≠ | Fundamental approximation | Electronic structure method |
| منبع بنیادین≠ | Born, M., Oppenheimer, J. R. (1927). Zur Quantentheorie der Moleküle. Annalen der Physik, 84, 457–484. DOI ↗ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ |
| نامهای دیگر | BO approximation, clamped nuclei | HF, self-consistent field |
| مرتبط≠ | 3 | 4 |
| خلاصه≠ | The Born-Oppenheimer (BO) Approximation is a foundational assumption in molecular quantum mechanics that nuclei can be treated as fixed while solving for electrons, and vice versa. Introduced by Born and Oppenheimer in 1927, this separation reduces the complex many-body electronic-nuclear problem to a sequence of simpler problems, enabling nearly all molecular calculations. | 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. |
| ScholarGateمجموعهداده ↗ |
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