Application of a Relativistic Coupled-Cluster Theory to the Effective Electric Field in YbF
Application of a Relativistic Coupled-Cluster Theory to the Effective Electric Field in YbF
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相对论耦合团簇理论在 YbF 有效电场中的应用
DOI：
10.1103/physreva.90.022501
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发表时间：
2014
期刊：
影响因子：
--
通讯作者：
D. Mukherjee
中科院分区：
文献类型：
--
作者：
M. Abe;G. Gopakumar;M. Hada;B. P. Das;H. Tatewaki;D. Mukherjee
准确测定YbF中的有效电场是很重要的，因为它可以与未来的实验结果相结合，给出一个改进的新的电子电偶极矩极限.本文报道了一个相对论耦合团簇计算这个量，其中所有的核心电子都被激发.它超过了以前报道的计算中的近似值。我们得到的值为23.1 GV/cm的YbF与估计误差小于10%。在我们的论文中的基组和核心激发的关键作用进行了讨论。
An accurate determination of the effective electric fieldin YbF is important as it can be combined with the results of future experiments to give an improved new limit for the electric dipole moment of the electron. We report a relativistic coupled-cluster calculation of this quantity in which all the core electrons were excited. It surpasses the approximations made in the previous reported calculations. We obtain a value of 23.1 GV/cm forin YbF with an estimated error of less than 10%. The crucial roles of the basis sets and the core excitations in our paper are discussed.