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Updated: Jul 11, 2025

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
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区块不变对称转移:为第二量子化哈密尔顿数预处理技术,以改进它们的分解到单元数的线性组合

Ignacio Loaiza1,2,3, Artur F Izmaylov1,2

  • 1Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto M5S 3H6, Canada.

Journal of chemical theory and computation
|November 8, 2023
PubMed
概括

这项研究引入了一种新方法,即块不变对称移位 (BLISS),以减少分子电子哈密尔顿的量子相估计的计算成本. BLISS有效地降低了量子化学中精确的能量计算的计算需求.

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