标题： $^{137}$钡氟化物在$^2Π_{1/2}$和$^2Π_{3/2}$激发态的磁超精细结构常数 显示英文标题

标题： Magnetic hyperfine structure constants of $^{137}$BaF in the $^2Π_{1/2}$ and $^2Π_{3/2}$ excited states

摘要： 高精度分子实验检验基本粒子物理的标准模型需要对分子的超精细结构有准确的理解，这既是为了控制分子，也是为了诠释实验结果。 在这项工作中，我们计算了由于 $^{137}$Ba 核导致的激发态 $^2\Pi_{1/2}$和 $^2\Pi_{3/2}$的超精细结构常数，这些态属于 $^{137}$BaF 分子。 我们使用四分量相对论 Fock 空间耦合簇方法，并将结果外推到完整的基组极限。 我们研究了基组和电子关联的影响，并估计了最终结果中的不确定性。 我们的结果被用于诠释 BaF 超精细和转动态光谱的实验光谱学，以及未来规划激光冷却方案以测量宇称破坏的无极轴矩 [1]。 显示英文摘要

摘要： High-precision molecular experiments testing the Standard Model of particle physics require an accurate understanding of the molecular structure at the hyperfine level, both for the control of the molecules and for the interpretation of the results. In this work, we calculate the hyperfine structure constants for the excited states $^2\Pi_{1/2}$ and $^2\Pi_{3/2}$ of $^{137}$BaF due to the $^{137}$Ba nucleus. We use the 4-component relativistic Fock-space coupled-cluster method, extrapolating our results to the complete basis set limit. We investigate the effect of the basis sets and electron correlation, and estimate the uncertainty in our final results. Our results are used in the interpretation of the experimental spectroscopy of the hyperfine and rovibrational spectra of BaF, and the planning of laser-cooling schemes for future parity-violating anapole moment measurements [1].