KCs的$X^1Σ^+$和$a^3Σ^+$态的束缚-自由跃迁的观测和模拟
Observation and modelling of bound-free transitions to the $X^1Σ^+$ and $a^3Σ^+$ states of KCs
摘要：
用傅里叶变换光谱仪记录了KCs分子的束缚-自由$c^3Σ^+ \to a^3Σ^+$和（4）$^1Σ^+ \to X^1Σ^+$跃迁的激光诱导荧光光谱中的振荡连续谱，并在绝热近似下进行了模拟。在正则化直接势拟合方法的框架内，同时考虑[R. Ferber等人，Phys. Rev. A，\textbf{80}，062501（2009）]以及当前短程排斥势数据的\emph{ab initio}计算。证明了导出的$a^3Σ^+$势中超过解离极限的排斥部分比文献报道的势更好地再现了实验。所有可用于$X^1Σ^+$态的经验势和半经验势在观测范围内都能以相同的质量再现束缚-自由（4）$^1Σ^+ \to X^1Σ^+$谱。
英文摘要：
The oscillation continuum in laser-induced fluorescence spectra of bound-free $c^3Σ^+ \to a^3Σ^+$ and (4)$^1Σ^+ \to X^1Σ^+$ transitions of the KCs molecule were recorded by Fourier-transform spectrometer and modelled under the adiabatic approximation. The required interatomic potentials for ground $a^3Σ^+$ and $X^1Σ^+$ states were reconstructed in an analytical Chebishev-polynomial-expansion form in the framework of the regularization direct-potential-fit procedure based on the simultaneous consideration of experimental line positions from [R. Ferber et al, Phys. Rev. A, \textbf{80}, 062501 (2009)] and the present \emph{ab initio} calculation of short-range repulsive potential data. It was proved that the repulsive part over dissociation limit of the derived $a^3Σ^+$ potential reproduces the experiment better than the potentials reported in literature. It is also shown that all empirical and semi-empirical potentials available for the $X^1Σ^+$ state reproduce the bound-free (4)$^1Σ^+ \to X^1Σ^+$ spectrum with equal quality in the range of observations.
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