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Updated: Jan 28, 2026

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对于激发状态的核电子轨道第二阶合集群

Jonathan H Fetherolf1, Fabijan Pavošević2, Sharon Hammes-Schiffer1

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.

The Journal of chemical physics
|January 27, 2026
PubMed
概括

新的兴奋状态方法,核电子轨道合集群与大约二次倍数 (NEO-CC2) 和其缩放相反旋转变体 (NEO-SOS-CC2),准确地描述分子振动和电子转换,包括涉及质子的转换.

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