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Electronic structure parameter of nuclear magnetic quadrupole moment interaction in metal monofluorides
The Journal of Chemical Physics ( IF 4.4 ) Pub Date : 2020-11-11 , DOI: 10.1063/5.0028669
Kaushik Talukdar 1 , Malaya K. Nayak 2 , Nayana Vaval 3 , Sourav Pal 1, 4
Affiliation  

The electronic structure parameter (WM) of the nuclear magnetic quadrupole moment (MQM) interaction in numerous open-shell metal monofluorides (viz., MgF, CaF, SrF, BaF, RaF, and PbF) is computed in the fully relativistic coupled-cluster framework. The electron-correlation effects are found to be very important for the precise calculation of WM in the studied molecular systems. The molecular MQM interaction parameter scales nearly as Z2 in the alkaline earth metal monofluorides, where Z is the nuclear charge of metal. Our study identifies 223RaF as a good candidate for the experimental search of the nuclear MQM, which can help unravel the physics beyond the standard model in the hadron sector of matter.

中文翻译:

一氟化金属中核磁四极矩相互作用的电子结构参数

在完全相对论耦合的条件下,计算了许多开壳金属单氟化物(即MgF,CaF,SrF,BaF,RaF和PbF)中核磁四极矩(MQM)相互作用的电子结构参数(W M)。集群框架。发现电子相关效应对于所研究分子系统中W M的精确计算非常重要。分子MQM相互作用参数在碱土金属单氟化物中几乎缩放为Z 2,其中Z是金属的核电荷。我们的研究确定223 RaF是进行核MQM的实验搜索的良好候选者,这可以帮助阐明强子物质领域中超出标准模型的物理学。
更新日期:2020-11-13
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