论文标题
无界过渡到$ x^1σ^+$和$ a^3σ^+$状态的观察和建模
Observation and modelling of bound-free transitions to the $X^1Σ^+$ and $a^3Σ^+$ states of KCs
论文作者
论文摘要
在激光诱导的荧光光谱中的振荡连续元素的振动光谱是无限制的$ C^3σ^+ \ to a^3σ^+ $和(4)$^1σ^+ \ to x^1σ^+ $ $ $ $ $ $ $ $ $ $ $。地面$ a^3σ^+$和$ x^1σ^+$状态所需的原子间潜力是在正则化直接拟合程序的框架中以分析性的Chebishev-多种扩张形式重建的,该态度是基于[R的同时考虑实验线位置的框架。 Ferber等人,物理。修订版A,\ textbf {80},062501(2009)]和当前的\ emph {ab intio}计算短距离排斥潜在数据的计算。事实证明,在衍生的$ a^3σ^+$电位的解离极限上的排斥部分比文献中报道的潜力更好地再现了实验。还表明,用于$ x^1σ^+$状态的所有经验和半经验潜力可在观测范围内复制无界(4)$^1σ^+\ to x^1σ^+$ spectrum。
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.