A^1^{Pi}-X^1^{Sigma}^+^ transitions of CO study

A highly accurate multi-reference configuration interaction approach was used to investigate the potential energy curves (PECs) and the transition dipole moment curve (TDMC). The resultant PECs and TDMC found by using the aug-cc-pV5Z (aV5Z) basis set and 5330 active spaces are in good agreement with the experimental data.

Moreover, the Einstein A coefficients, lifetimes, ro-vibrational intensities, absorption oscillator strengths, and integrated cross sections are calculated so that the vibrational bands include v"=0-39 -> v'=0-23. For applications in the atmosphere and interstellar clouds, we studied the transition lineshapes to Gaussian and Lorentzian profiles at different temperatures and pressures. The intensities were calculated at high temperature that was used to satisfy some astrophysical applications, such as in planetary atmospheres.