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Updated: Jul 4, 2025

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在有限的异型细胞中采样互换库伦电位

Tobias Schäfer1, William Z Van Benschoten2, James J Shepherd2

  • 1Institute for Theoretical Physics, TU Wien, Wiedner Hauptstraße 8-10/136, A-1040 Vienna, Austria.

The Journal of chemical physics
|February 4, 2024
PubMed
概括

准确的库伦电位采样对于低维系统至关重要. 这项研究引入了对于周期系统的强大的数值方法,提高了对碳链和化物表面等材料的合集群计算的准确性.

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