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Updated: Jun 7, 2025

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臭氧光电子光谱中的振动性合效应:一种合集群方法

Paweł Wójcik1, Hanna Reisler1, Péter G Szalay2

  • 1Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.

The journal of physical chemistry. A
|November 14, 2024
PubMed
概括

运动方程合集群 (EOM-CC) 理论准确模拟了臭氧电离子电子光谱. 计算表明电子状态之间的能量差距比先前估计的要小,有助于光谱分配.

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