论文标题
从头开始计算109CD的超细结构，109CD+和重新评估核四极力矩Q（109CD）
Ab initio calculations of the hyperfine structure of 109Cd, 109Cd+ and reevaluation of the nuclear quadrupole moment Q(109Cd)
论文作者
论文摘要
从$^{109} $^{109} $^{109} $ CD $^$^+$ ion和$ 5S5p〜^3p_ $ 5s5p〜^3p_ $ neutmed nemport的$ 5p〜^2p_ {3/2} $ state in Electric Quadrupole超精力相互作用$ b $的电贡献（即电场梯度）的大规模从头开始计算。为了探测$ b $对不同电子相关效应的敏感性，采用了使用不同策略的六组多种多种构造dirac-hartree-fock和相对论构型相互作用计算计算。计算出的电场梯度以及$ b $的实验值，使我们能够提取核电动四极矩$ q $（$^{109} $ cd）= 0.634（22）B的新值，该值大约比推荐的值大约5 \％。数据nucl。数据表111-112，1（2016）; Pyykkö，摩尔。物理。 116，1328（2018）]。为基于统计原理和与磁性偶极性超精美相互作用的相关性提供了最终$ Q $值的现实理论不确定性的努力。
Large scale ab initio calculations of the electric contribution (i.e. the electric field gradient) to the electric quadrupole hyperfine interaction constants $B$ for the $5p~^2P_{3/2}$ state in $^{109}$Cd$^+$ ion and the $5s5p~^3P_{1,2}$ states in neutral $^{109}$Cd atom were performed. To probe the sensitivity of $B$ to different electron correlation effects, six sets of variational multi-configuration Dirac-Hartree-Fock and relativistic configuration interaction calculations employing different strategies were carried out. The calculated electric field gradients, together with experimental values of $B$, allow us to extract a new value of the nuclear electric quadrupole moment $Q$($^{109}$Cd) = 0.634(22) b which is about 5\% larger than the recommended value [Stone, At. Data Nucl. Data Tables 111-112, 1 (2016); Pyykkö, Mol. Phys. 116, 1328 (2018)]. Efforts were made to provide a realistic theoretical uncertainty for the final $Q$ value based on statistical principles and correlation with the magnetic dipole hyperfine interaction constant $A$.
