Rg,Cn,Nh和Fl超重元素的电离势和电子亲合势
Ionization potentials and electron affinities of Rg, Cn, Nh, and Fl superheavy elements
摘要:
用相对论Fock空间耦合团簇方法(FS-CCSDT)计算了具有$111 \leq Z \leq 114$的超重元素Rg、Cn、Nh和Fl的连续电离能和电子亲合能.对于大多数考虑的量,三振幅的贡献是很重要的。的Breit和频率依赖的Breit修正的评价通过组态相互作用方法。在模型QED算子方法中考虑了对IP和EA的量子电动力学修正。所得结果在0.10 eV的不确定度内。
英文摘要:
The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with $111 \leq Z \leq 114$, namely, Rg, Cn, Nh, and Fl are reexamined using the relativistic Fock-space coupled-cluster method with nonperturbative single (S), double (D), and triple (T) cluster amplitudes (FS-CCSDT). For the most of considered quantities, the triple-amplitude contributions turn out to be important. The Breit and frequency-dependent Breit corrections are evaluated by means of the configuration-interaction method. The quantum-electrodynamics corrections to the IPs and EAs are taken into account within the model-QED-operator approach. The obtained results are within 0.10 eV uncertainty.
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