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Updated: Jul 7, 2025

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扩大金属分子接口集群GW中的基本差距

Štěpán Marek1, Richard Korytár1

  • 1Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, Praha 2, 121 16, Czech Republic. stepan.marek@matfyz.cuni.cz.

Physical chemistry chemical physics : PCCP
|December 22, 2023
PubMed
概括

千瓦近似显示,在分子-金属接口中的带电激发的热力学极限的收速度比DFT慢. 这影响了状态计算的密度,需要对集群模拟进行仔细检查.

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