论文标题
重新审视KCS的$ a^3σ^+$
The $a^3Σ^+$ state of KCs revisited: hyperfine structure analysis and potential refinement
论文作者
论文摘要
$ c^3σ^+的激光诱导的荧光光谱（v_ {c}，j_ {c} = n_ {c}）\ rightarrow a^3σ^+（v_ {a}，n_ {a} = j_} = j_ {c} $^{39} $ k $^{133} $ cs分子以傅立叶转换光谱仪IFS125-hr（bruker）的最高可实现的光谱分辨率为0.0063 cm $ $ {}^{ - 1} $，记录了傅立叶变换光谱仪。 $ a^3σ^+$状态的超精细结构（HFS）的系统研究，其中$ v_ {a} \ in [0，27] $和$ n_ {a} \ in [24，90] $ in [24，90] $ in [24，90] $表明，单调的拆分随$ v_ {a} $而单调增加。从头算在$ x^1σ^+$和$ a^3σ^+$状态下的磁性超精美相互作用的从头算法得到了光谱研究的支持。与观察到的HFS的$ v_ {a} $ - 依赖关系相关的电子矩阵元素的发现的电子矩阵元素与核对间距离$ r $达成了良好的协议。 $ a^3σ^+$状态的总体可用实验数据用于改善势能曲线，特别是在底部附近，提供了精制解离能$ d_e $ = 267.21（1）cm $ {}^{}^{ - 1} $。在发明的耦合通道驱动模型的框架中，HFS矩阵元素与经验$ x^1σ^+$和$ a^3σ^+$ pecs相结合，重现了这两个基础状态在0.003 cm $ $ $ {}^}^{-1} $ cociviation in sumperacy ins occorciation的实验性项值的实验性项值。
Laser-induced fluorescence spectra of the $c^3Σ^+(v_{c},J_{c}=N_{c})\rightarrow a^3Σ^+(v_{a},N_{a} = J_{c} \pm 1)$ transitions excited from the ground $X^1Σ^+$ state of $^{39}$K$^{133}$Cs molecule were recorded with Fourier-transform spectrometer IFS125-HR (Bruker) at the highest achievable spectral resolution of 0.0063 cm${}^{-1}$. Systematic study of the hyperfine structure (HFS) of the $a^3Σ^+$ state for levels with $v_{a} \in [0, 27]$ and $N_{a} \in [24, 90]$ shows that the splitting monotonically increases with $v_{a}$. The spectroscopic study was supported by ab initio calculations of the magnetic hyperfine interaction in $X^1Σ^+$ and $a^3Σ^+$ states. The discovered variation of the electronic matrix elements with the internuclear distance $R$ is in a good agreement with the observed $v_{a}$-dependencies of the HFS. Overall set of available experimental data on the $a^3Σ^+$ state was used to improve the potential energy curve particularly near a bottom, providing the refined dissociation energy $D_e$=267.21(1) cm${}^{-1}$. The ab initio HFS matrix elements, combined with the empirical $X^1Σ^+$ and $a^3Σ^+$ PECs in the framework of the invented coupled-channel deperturbation model, reproduce the experimental term values of both ground states within 0.003 cm${}^{-1}$ accuracy up to their common dissociation limit.
