超重元素Uut、Fl和Uup($Z$ =113 ~ 115)的电子结构
Electron structure of superheavy elements Uut, Fl and Uup ($Z$=113 to 115)
摘要:
本文采用最近发展起来的精确原子计算方法,将线性化的单-双耦合团簇方法与组态相互作用技术相结合,计算了超重元素Uut、Fl和Uup($Z$ =113 ~ 115)及其离子的电离势、激发能、静态极化率和价电子密度。通过对超重元素Tl、Pb和Bi的轻类似物的类似计算与实验的比较,控制了计算的准确性。相对论效应和相关性的作用进行了讨论,并与早期的计算进行了比较。
英文摘要:
We use recently developed method of accurate atomic calculations which combines linearized single-double coupled cluster method with the configuration interaction technique to calculate ionisation potentials, excitation energies, static polarizabilities and valence electron densities for superheavy elements Uut, Fl and Uup ($Z$=113 to 115) and their ions. The accuracy of the calculations is controlled by comparing similar calculations for lighter analogs of the superheavy elements, Tl, Pb and Bi with experiment. The role of relativistic effects and correlations is discussed and comparison with earlier calculations is presented.
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