方法证据记录
Born-Oppenheimer Approximation
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.
源记录
引文逐字复制自方法源记录。这些引文不代表任何层级的验证。
Born-Oppenheimer Approximation
分类方法记录 · ml-model / quantum-computing
- Born, M., Oppenheimer, J. R. (1927). Zur Quantentheorie der Moleküle. Annalen der Physik, 84, 457–484. · DOI 10.1002/andp.19273892002
- Longuet-Higgins, H. C. (1975). The intersection of potential energy surfaces in polyatomic molecules. Proceedings of the Royal Society A, 344, 147–156. · DOI 10.1098/rspa.1975.0095
- Szabo, A., Ostlund, N. S. (2012). Modern Quantum Chemistry. Dover Publications. · URL
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