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| 紧束缚模型× | Hartree-Fock 方法× | |
|---|---|---|
| 领域 | 量子计算 | 量子计算 |
| 方法族 | Machine learning | Machine learning |
| 起源年份≠ | 1954 | 1928 |
| 提出者≠ | John Slater and George Koster | Douglas Hartree and Vladimir Fock |
| 类型≠ | Simplified electronic structure model | Electronic structure method |
| 开创性文献≠ | Slater, J. C., Koster, G. F. (1954). Simplified LCAO method for the periodic potential problem. Physical Review, 94, 1498–1524. DOI ↗ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ |
| 别名 | TB model, hopping model | HF, self-consistent field |
| 相关≠ | 3 | 4 |
| 摘要≠ | The Tight-Binding (TB) model is a simplified semi-empirical approach for computing electronic band structures and properties of solids. Formulated by Slater and Koster in 1954, TB treats electron hopping between atomic sites as the dominant interaction, enabling efficient calculations of band dispersion for a wide variety of materials. | 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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