@Article{JAMS-4-2,
author = {Jing, Guo and Yan, Bing and Zeng, De-Ling},
title = {Accurate Ab Initio Potential Energy Curve of $X^2\Pi$ State and High-Temperature $A^2Δ$-$ X^2\Pi$ Fluorescence Spectra for CH Radical},
journal = {Journal of Atomic and Molecular Sciences},
year = {2013},
volume = {4},
number = {2},
pages = {183--192},
abstract = {<p style="text-align: justify;">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 $A^2Δ$ - $X^2\Pi$&nbsp; transition are simulated.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.061112.081212a},
url = {https://global-sci.com/article/74337/accurate-ab-initio-potential-energy-curve-of-x2pi-state-and-high-temperature-a2d-x2pi-fluorescence-spectra-for-ch-radical}
}