铊电偶极矩增强因子的再评价
A Reappraisal of the Electric Dipole Moment Enhancement Factor for Thallium
摘要：
原子Tl的电偶极矩（EDM）增强因子是一个非常重要的参数，它被用来确定最精确的内禀电子EDM极限。然而，这个量的值在不同的近似值中从$-179$到$-1041$变化。考虑到这些计算中存在的较大的不确定性，我们采用了单激发、双激发和一组三重激发的相对论耦合团簇理论，得到了Tl的EDM增强因子为$-466$，其与T1 EDM的最精确测量值结合产生$2.0 \times 10^{-27}\,{\mathrm e\,cm}$作为电子EDM的新上限。强调了阶相关效应，并将它们的变化趋势与另外两种从头计算结果进行了比较。
英文摘要：
The electric dipole moment (EDM) enhancement factor of atomic Tl is of considerable interest as it has been used in determining the most accurate intrinsic electron EDM limit to date. However, the value of this quantity varies from $-179$ to $-1041$ in different approximations. In view of the large uncertainties associated with many of these calculations, we have employed the relativistic coupled-cluster theory with single and double excitations and a subset of leading triple excitations and obtained the EDM enhancement factor of Tl as $-466$, which in combination with the most accurate measured value of Tl EDM yields $2.0 \times 10^{-27}\,{\mathrm e\,cm}$ as the new upper limit for the EDM of the electron. The importance of all-order correlation effects is emphasized and their trends are compared with those of two other ab initio calculations.
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