硼原子最低重态和四重态之间的能量差

K. Strasburger
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引用次数: 0

摘要

在对称的、显式相关的高斯波瓣函数的基础上,以$\mu$哈特里精度计算了硼原子的最低能级$^2P_u$、$^4P_g$和$2D_g$的能量。考虑了有限核质量和标量相对论修正。这项研究有助于解决硼的重态和四重奏态之间的能量差异问题,这是迄今为止尚未测量到的。发现原子光谱数据库中推荐的$^2P_u\rightarrow^4P_g$激发能似乎低估了300多cm $^{-1}$。
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Energy difference between the lowest doublet and quartet states of the boron atom
The energies of the lowest $^2P_u$, $^4P_g$ and $2D_g$ states of the boron atom are calculated with $\mu$hartree accuracy, in the basis of symmetrized, explicitly correlated Gaussian lobe functions. Finite nuclear mass and scalar relativistic corrections are taken into account. This study contributes to the problem of the energy differences between doublet and quartet states of boron, which have not been measured to date. It is found that the $^2P_u\rightarrow^4P_g$ excitation energy, recommended in the Atomic Spectra Database, appears underestimated by more than 300~cm$^{-1}$.
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