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Updated: Sep 18, 2025

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张量超收缩用于自我一致的顶点,通过静态和动态选纠正了GW;对分子和固体的应用具有超交换

Pavel Pokhilko1, Chia-Nan Yeh2, Miguel A Morales2

  • 1Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA.

The Journal of chemical physics
|June 25, 2025
PubMed
概括

我们开发了高效的算法来计算二次交换 (SOX) 项,改进了分子和固体的自相一致的GW (scGW) 计算. 这提高了预测磁性和尼尔温度的准确性.

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