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Updated: May 22, 2025

High Resolution Phonon-assisted Quasi-resonance Fluorescence Spectroscopy
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超出活性空间的电子相关性在实现自旋 - 声子放松量的定量预测中的作用

Soumi Haldar1, Lorenzo A Mariano2, Alessandro Lunghi2

  • 1Department of Chemistry, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois 60637, United States.

Journal of chemical theory and computation
|March 12, 2025
PubMed
概括

先进的计算方法提高了对用于数据存储的单分子磁铁 (SMM) 的理解. 除了标准计算之外,将电子相关性纳入这些有前途的材料中,可以提高对这些有前途的材料中自旋声子放松的预测.

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