电子关联在CdH的$\mathcal{P,T}$奇效应中的作用：相对论耦合团簇研究
Role of electron-correlation in the $\mathcal{P,T}$-odd effects of CdH: A relativistic coupled-cluster investigation
摘要：
我们调查了（$\mathcal{P}$）和时间反演（$\mathcal{T}$）对称性破坏效应，并对与电子电偶极矩（eEDM）相互作用相关的分子参数- $E_\text{eff}$、$W_\text{s}$和$W_\text{M}$进行相对论耦合簇计算，标量-赝标量（S-PS）核-电子中性电流耦合和核磁四极矩（MQM）与电子的相互作用。计算了CdH的分子偶极矩和磁超精细结构耦合常数。我们测得该分子的$E_\text{eff}$、$W_\text{s}$和$W_\text{M}$的值分别为12.2 GV/cm、14.0 kHz和$0.82\times$ 10 $^{33}$ Hz/e cm $^2$，不确定度为10%。此外，我们还研究了CdH的电子相关性质的变化趋势以及12族单电子结构中$\mathcal{P,T}$奇参数的变化趋势（即，ZnH、CdH和HgH）。
英文摘要：
We investigate the parity ($\mathcal{P}$) and time-reversal ($\mathcal{T}$) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters- $E_\text{eff}$, $W_\text{s}$ and $W_\text{M}$ related to the electric dipole moment of electron (eEDM) interaction, the scalar-pseudoscalar (S-PS) nucleus-electron neutral current coupling and the nuclear magnetic quadrupole moment (MQM) interaction with electrons, respectively. We also compute the molecular dipole moment and the magnetic hyperfine structure coupling constant of CdH. The value of $E_\text{eff}$, $W_\text{s}$ and $W_\text{M}$ obtained by us in the said molecule are 12.2 GV/cm, 14.0 kHz and $0.82\times$10$^{33}$ Hz/e cm$^2$, respectively, within an uncertainty of 10\%. Furthermore, we study the trend of electron-correlation in the computed properties of CdH and that of the $\mathcal{P,T}$-odd parameters in the group-12 monohydrides (i.e., ZnH, CdH, and HgH).
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
