论文标题
电子相关在$ \ Mathcal {p，t} $ - CDH的奇数效果：相对论耦合群集调查中的作用
Role of electron-correlation in the $\mathcal{P,T}$-odd effects of CdH: A relativistic coupled-cluster investigation
论文作者
论文摘要
我们研究了奇偶校验（$ \ Mathcal {p} $）和时间逆转（$ \ Mathcal {t} $）在CDH分子中违反对称效果，并执行分子参数的相对性耦合群集计算计算 - 电子（EEDM）相互作用的电偶极力矩，标量伪符号（S-PS）核 - 电子中性电流耦合和核磁四极矩（MQM）的相互作用分别与电子的相互作用。我们还计算了CDH的分子偶极矩和磁性超细结构耦合常数。 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\%.此外，我们研究了CDH的计算属性和$ \ Mathcal {p，t} $ - 奇数参数（即ZnH，CDH和HGH）中的$ \ Mathcal {p，t} $ - 奇数参数的趋势。
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).
