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Updated: Jul 19, 2025

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在截断的运动方程合集群方法中违反了N-表示性

Stephen H Yuwono1, A Eugene DePrince1

  • 1Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390, USA.

The Journal of chemical physics
|August 7, 2023
PubMed
概括

运动方程合集群计算可以产生非物理的一个电子的低密度矩阵 (1RDM). 这些非物理的1RDM,即使来自有效状态,也挑战了量子化学中时间依赖模拟的解释.

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