TY - JOUR T1 - Accurate Ab Initio Potential Energy Curve of $X^2\Pi$ State and High-Temperature $A^2Δ$-$ X^2\Pi$ Fluorescence Spectra for CH Radical AU - Guo , Jing AU - Yan , Bing AU - Zeng , De-Ling JO - Journal of Atomic and Molecular Sciences VL - 2 SP - 183 EP - 192 PY - 2013 DA - 2013/04 SN - 4 DO - http://doi.org/10.4208/jams.061112.081212a UR - https://global-sci.org/intro/article_detail/jams/8247.html KW - potential energy curve, relativistic effect, high-temperature fluorescence spectrum, $CH$ radical. AB -

In present study an accurate ab initio potential energy curve of $CH(X^2\Pi)$ has been determined at the complete basis set limit. The core-valence corrections and relativistic corrections including scalar relativity and spin-orbit coupling are determined. The vibrational and rotational levels are calculated based on fitted potential energy curve. Total 19 vibrational levels are found for $^{13}CH$ ground state, and comparing with available experimental data, the deviation is less than 15 $cm^{-1}.$ The dissociation energy is calculated within 50 $cm^{-1}$ of the experimental value 29358 $cm^{-1}.$ The $A^2Δ$ - $X^2\Pi$ electric transition dipole moment function is calculated, and the high-temperature fluorescence spectra arising from $A^2Δ$ - $X^2\Pi$  transition are simulated.