Fock-space perturbed relativistic coupled-cluster calculations of electric dipole polarizability and nuclear spin-dependent parity non-conservation in Cs

Suraj Pandey, Ravi Kumar, D. Angom, B. K. Mani
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Abstract

We implement the Fock-space perturbed relativistic coupled-cluster theory to compute the electric dipole polarizability of ground and low lying excited states, and nuclear spin-dependent parity violating transition amplitudes in Cs. Moreover, to check the accuracy of the wavefunctions used in the calculations, we compute the excitation energies, E1 transition amplitudes and magnetic dipole hyperfine constants for ground and low lying excited states. To improve the accuracy of the computed properties, we have incorporated the corrections from the relativistic and QED effects in our calculations. The contributions from triple excitations are accounted perturbatively. Our results on excitation energies, E1 transition amplitudes and hyperfine constants are in good agreement with the experimental results. Our polarizability results using FS-PRCC theory are in good agreement with the experimental data. Our values of parity-violating transition amplitudes are, in general, on the lower side of the previous values. From the analysis of the electron correlations, we find that the corrections from the Breit interaction and QED effects are important to get accurate results of nuclear spin-dependent parity-violating transition amplitudes in Cs. The largest cumulative contribution from Breit and QED corrections is found to be $\approx$ 3.2\% of the total value. The upper bound on the theoretical uncertainty in our calculated parity violating transition amplitudes is estimated to be about 1\%.
铯中电偶极子极化率和核自旋相关奇偶性不守恒的福克空间扰动相对论耦合簇计算
我们利用福克空间扰动相对论耦合簇理论来计算铯的基态和低层激发态的电偶极子极化率,以及核自旋相关的违反奇偶性的转变幅度。此外,为了检验计算中使用的波函数的准确性,我们还计算了基态和低层激发态的激发能、E1 过渡振幅和磁偶极子超细常数。为了提高计算结果的准确性,我们在计算中加入了相对论效应和 QED效应的校正。对三重激发的贡献进行了微扰计算。我们对激发能量、E1 转变振幅和超细常数的计算结果与实验结果非常吻合。我们利用 FS-PRCC 理论得出的极化率结果与实验数据十分吻合。我们得出的违反偏振的转变振幅值总体上偏低。通过对电子相关性的分析,我们发现布赖特相互作用和 QED 效应的修正对于获得 Cs 中核自旋相关的违反奇偶性转变振幅的精确结果非常重要。我们发现布雷特和QED修正的最大累积贡献约为总值的3.2%。我们计算出的违反奇偶性转变幅度的理论不确定性上限估计约为1%。
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