ThF $^+$寻找T，P破坏效应的理论研究：ThF $^+$和ThO化合物中Th原子的有效态
Theoretical study of ThF$^+$ in the search for T,P-violation effects: Effective state of a Th atom in ThF$^+$ and ThO compounds
摘要：
本文报道了ThF $^+$阳离子的电子结构的理论研究结果，该阳离子是寻找电子电偶极矩（eEDM）最有趣的体系之一[H. Loh，K.C. Cossel，M.C.格劳，K.- K.倪，急诊室。J.L.迈耶Bohn，J. Ye，E.A. Cornell，Science { \bf 342}，1220（2013）]以及基本相互作用中违反时间反转（T）和空间宇称（P）对称性的其他效应。对于工作$^3Δ_1$态，我们发现作用在未成对电子上的有效电场值相当高（37.3 GV/cm）。将要求现场人员根据eEDM解释ThF $^+$上计划的实验。在化合物中原子的概念内[A. V. Titov，Y. V. Lomachuk和L. V. Skripnikov，Phys.Rev.A { \bf 90}，052522（2014）]，我们比较了ThF $^+$电子结构与ThO的电子结构。我们还计算了T，P奇相互作用的其它参数：$W_{T,P}$，它是用表征T，P奇赝标$-$标量电子$-$核中性流相互作用强度的无量纲常数$k_{T,P}$来解释实验所需的; $W_M$，这是在$^{229}$ ThF $^+$（0.88 $\frac{10^{33}\mathrm{Hz}}{e {\rm cm}^2}$）中搜索Th核磁四极矩所需的。还计算了一些可以测量的性质：超精细结构常数，分子框架偶极矩和g因子。
英文摘要：
We report the results of theoretical investigation of electronic structure of ThF$^+$ cation which is one of the most interesting systems to search for the electron electric dipole moment (eEDM) [H. Loh, K.C. Cossel, M.C. Grau, K.-K. Ni, E.R. Meyer, J.L. Bohn, J. Ye, E.A. Cornell, Science {\bf 342}, 1220 (2013)] and other effects of violation of time reversal (T) and spacial parity (P) symmetries in fundamental interactions. For the working $^3Δ_1$ state we have found a quite high value of the effective electric field acting on unpaired electrons (37.3 GV/cm). The field will be required to interpret the experiment planed on ThF$^+$ in terms of eEDM. Within the concept of atoms in compounds [A.V. Titov, Y.V. Lomachuk, and L.V. Skripnikov, Phys. Rev. A {\bf 90}, 052522 (2014)] we have compared the ThF$^+$ electronic structure with that of ThO. Also we have calculated other parameters of T,P-odd interactions: $W_{T,P}$, which is needed for interpretation of the experiment in terms of the dimensionless constant $k_{T,P}$ characterizing the strength of the T,P-odd pseudoscalar$-$scalar electron$-$nucleus neutral current interaction (50 kHz); $W_M$, which is required to search for the Th nuclear magnetic quadrupole moment in $^{229}$ThF$^+$ (0.88 $\frac{10^{33}\mathrm{Hz}}{e {\rm cm}^2}$). A number of properties which can be measured are also calculated: hyperfine structure constant, the molecule-frame dipole moment, and g-factor.
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