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Updated: Sep 16, 2025

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规范化的第二阶米勒-普莱塞特理论:对大分子问题的线性缩放实施和评估

Zhenling Wang1,2, Tianyi Shi3, Weiliang Luo4

  • 1Department of Chemistry, University of California, Berkeley, California 94720, United States.

Journal of chemical theory and computation
|July 7, 2025
PubMed
概括

与标准MP2理论相比,新的规范化MP2方法kappa-MP2和Brillouin-Wigner (BW-s2) 显示了大分子相互作用的更高的准确性. 这些方法为复杂系统提供了更强大,更可靠的计算.

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