Cn，Nh $^+$和Og的电偶极极化率和相关能的RCC计算：从轻元素到超重元素的相关效应
RCC calculation of electric dipole polarizability and correlation energy of Cn, Nh$^+$ and Og: Correlation effects from lighter to superheavy elements
摘要：
本文采用完全相对论耦合集团理论计算了超重元素Cn，Nh $^+$和Og的基态电偶极极化率和电子相关能。为了评估作为$Z$函数的电子相关趋势，我们还计算了三个较轻的同系物-Zn，Cd和Hg; Ga $^+$，In $^+$和Tl $^+$ ; Kr，Nd和Rn-对于每个超重元素的相关能。采用Dirac-Coulomb-Breit哈密顿量，并考虑了Uehling势和自能的修正，得到了相对论效应和量子电动力学修正。理论中考虑了三重激发的微扰效应。此外，大的基被用来测试结果的收敛性。我们推荐的值的极化率是在良好的协议与以前的理论结果为所有SHES。计算结果表明，在所有超重元素中，价电子对极化率的贡献占主导地位。除了Cn和Og，我们观察到从轻到超重元素的Breit相互作用的贡献减少。对于来自真空极化和自能的修正，我们观察到$Z$的贡献增加的趋势。从能量计算中，我们发现，二阶多体微扰理论高估了电子的相关能在这项工作中考虑的所有元素。
英文摘要：
We employ a fully relativistic coupled-cluster theory to calculate the ground-state electric dipole polarizability and electron correlation energy of superheavy elements Cn, Nh$^+$ and Og. To assess the trend of electron correlation as function of $Z$, we also calculate the correlation energies for three lighter homologs--Zn, Cd and Hg; Ga$^+$, In$^+$ and Tl$^+$; Kr, Xe and Rn--for each superheavy elements. The relativistic effects and quantum electrodynamical corrections are included using the Dirac-Coulomb-Breit Hamiltonian with the corrections from the Uehling potential and the self-energy. The effects of triple excitations are considered perturbatively in the theory. Furthermore, large bases are used to test the convergence of results. Our recommended values of polarizability are in good agreement with previous theoretical results for all SHEs. From our calculations we find that the dominant contribution to polarizability is from the valence electrons in all superheavy elements. Except for Cn and Og, we observe a decreasing contribution from lighter to superheavy elements from the Breit interaction. For the corrections from the vacuum polarization and self-energy, we observe a trend of increasing contributions with $Z$. From energy calculations, we find that the second-order many-body perturbation theory overestimates the electron correlation energy for all the elements considered in this work.
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