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Updated: Jan 12, 2026

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在电子路径上,Mayer-Miller-Stock-Thoss对非adiabatic动态的表示的整数正常模式

Lauren E Cook1, Timothy J H Hele1

  • 1Department of Chemistry, University College London, Christopher Ingold Building, London WC1H 0AJ, United Kingdom.

The Journal of chemical physics
|November 4, 2025
PubMed
概括

模拟非adiabatic动态需要保留量子博尔兹曼分布 (QBD). 这项研究发现,在Meyer-Miller-Stock-Thoss (MMST) 表示中截断电子正常模式会阻碍QBD的保存,并导致不准确的结果.

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