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Updated: Jul 2, 2025

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对于共价键接口的通用基质选GW

Joseph Frimpong1, Zhen-Fei Liu1

  • 1Department of Chemistry, Wayne State University, Detroit, Michigan 48202, United States.

The journal of physical chemistry letters
|February 16, 2024
PubMed
概括

本研究介绍了一种通用基质选GW方法,用于准确计算共价键接口中的电子结构. 该方法提高了复杂材料设计的效率.

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