\begin{document}$ {{\text{X}}^{2}}{\Sigma}_{\text{g}}"/>

Molecular opacities of \begin{document}$ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $\end{document}, A2Πu

Chinese Physics(2022)

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摘要
The potential curves, spectroscopic constants and dipole moments for \begin{document}$ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $\end{document}, A2Πu and \begin{document}$ {{\text{B}}^{2}}{\Sigma}_{\text{u}}^{+} $\end{document} state of \begin{document}$ {\text{N}}_{2}^{+} $\end{document} are calculated by the internal contraction multi reference configuration interaction (icMRCI) method, with Davidson correction taken into consideration. According to the results of molecular structures, we present the partition function in a temperature range of 100–40000 K and the opacities at different temperatures (295, 500, 1000, 2000, 2500, 5000 and 10000 K) under a fixed pressure of 100 atm. It is found that the populations of excited states increase with temperature increasing, as a result, the wavelength range of opacity also increases and band boundaries for different transitions gradually become obscure. In comparison with the cases of N2 with the same pressure and temperature, significant discrepancies are found in the wavelength ranges and structures of opacity of \begin{document}$ {\text{N}}_{2}^{+} $\end{document} for the present work. The influence of temperature on the opacity of \begin{document}$ {\text{N}}_{2}^{+} $\end{document} is studied systematically in the present work, which is expected to provide theoretical and data support for astrophysics.
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molecular opacities,inline-formula,tex-math,tex-math,inline-formula,inline-formula,tex-math,tex-math,inline-formula
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