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| Xấp xỉ Born-Oppenheimer× | Phương pháp Hartree-Fock× | |
|---|---|---|
| Lĩnh vực | Tính toán lượng tử | Tính toán lượng tử |
| Họ | Machine learning | Machine learning |
| Năm ra đời≠ | 1927 | 1928 |
| Người khởi xướng≠ | Max Born and Julius Robert Oppenheimer | Douglas Hartree and Vladimir Fock |
| Loại≠ | Fundamental approximation | Electronic structure method |
| Công trình gốc≠ | 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 ↗ |
| Tên gọi khác | BO approximation, clamped nuclei | HF, self-consistent field |
| Liên quan≠ | 3 | 4 |
| Tóm tắt≠ | 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. |
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