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Updated: May 22, 2025

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
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Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

Published on: September 26, 2016

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密度矩阵嵌入分子对密度功能理论

Shreya Verma1, Matthew R Hermes1, Laura Gagliardi1,2

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

The journal of physical chemistry letters
|May 21, 2025
PubMed
概括

我们介绍了密度矩阵嵌入式对密度函数理论 (DME-PDFT),用于研究有限系统中的电子相关性. 这种方法比现有技术提供了显著的计算节约和更快的融合.

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