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Updated: May 9, 2025

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一个严格的和内部一致的对结合的N-状态二元体的二元体表示:一种基于异面性质的混合异面性质二元化方法

R P Brady1

  • 1Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London, United Kingdom.

The Journal of chemical physics
|May 2, 2025
PubMed
概括

一种新的规范化方法确保非adiabatic合元件是一致的,使得分子光谱学准确的diabatic表示. 这种方法解决了量子计算中的不一致性,以改善光谱预测.

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