Machine learningSelf-Consistent Field
Hartree-Fock 方法
Hartree-Fock (HF) 方法是一种基础的自洽场方法，用于求解多电子薛定谔方程。该方法由 Douglas Hartree 和 Vladimir Fock 于 20 世纪 20 年代末独立开发，它通过假设电子在由所有其他电子产生的平均场中运动来近似基态，从而实现可处理的量子化学计算。
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来源
- Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
- Hartree, D. R. (1928). The wave mechanics of an atom with a non-coulomb central field. Mathematical Proceedings of the Cambridge Philosophical Society, 24, 89–110. DOI: 10.1017/S0305004100011919 ↗
- Szabo, A., Ostlund, N. S. (2012). Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Dover Publications. link ↗
如何引用本页
ScholarGate. (2026, June 3). Hartree-Fock Method (HF). ScholarGate. https://scholargate.app/zh/quantum-computing/hartree-fock-method
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