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Updated: Jul 28, 2025

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计算振动能量水平使用正规的多态张量法,具有固定的等级和收缩树

Sangeeth Das Kallullathil1, Tucker Carrington1

  • 1Chemistry Department, Queen's University, Kingston, Ontario K7L 3N6, Canada.

The Journal of chemical physics
|June 1, 2023
PubMed
概括

这项研究通过使用Canonical Polyadic (CP) -多个转移块逆代 (MSBII) eigensolver和收缩树来增强振动光谱计算. 这种方法可以提高复杂分子系统的计算效率.

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