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Updated: Feb 21, 2026

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对于多配置Ehrenfest动态的最佳初始条件采样

Thies Romig1, Francesco Montorsi2, Francesco Segatta2

  • 1Institut für Physik, Universität Rostock, Albert-Einstein-Str. 23-24, 18059 Rostock, Germany.

The Journal of chemical physics
|February 19, 2026
PubMed
概括

多配置Ehrenfest (MCE) 方法使用轨迹模拟量子动力学. 对于初始条件的立方网策略对于非adiabatic过渡是普遍有效的.

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