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Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements

机译:扰动相对论耦合聚类理论与三次激励   groupIIB元素的电偶极子极化率

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摘要

We use perturbed relativistic coupled-cluster (PRCC) theory to compute theelectric dipole polarizabilities $\alpha$ of Zn, Cd and Hg. The computationsare done using the Dirac-Coulomb-Breit Hamiltonian with Uehling potential toincorporate vacuum polarization corrections. The triple excitations areincluded perturbatively in the PRCC theory, and in the unperturbed sector, itis included non-perturbatively. Our results of $\alpha$, for all the threeelements, are in excellent agreement with the experimental data. The otherhighlight of the results is the orbital energy corrections from Breitinteractions. In the literature we could only get the data of Hg {E. Lindrothet al., J. Phys. B 22, 2447 (1989)} and are near perfect match with ourresults. We also present the linearized equations of the cluster amplitudes,including the triple excitations, with the angular factors.
机译:我们使用扰动相对论耦合簇(PRCC)理论来计算Zn,Cd和Hg的电偶极子极化率$ \ alpha $。使用具有Uehling势的Dirac-Coulomb-Breit哈密顿量完成计算,并纳入真空极化校正。三重激发被扰动包括在PRCC理论中,在无扰动区域中,非扰动包括在内。对于所有三个元素,我们的\\ alpha $结果与实验数据非常吻合。结果的另一个亮点是来自Breitinteractions的轨道能量校正。在文献中,我们只能获得Hg {E. Lindrothet等人,《物理学报》 B 22,2447(1989)},并且与我们的结果几乎完美匹配。我们还提出了包含角因子的簇振幅(包括三重激发)的线性化方程。

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