Einstein A coefficients and absolute line intensities for the E2π-X2σ+ transition of CaH

摘要

Einstein A coefficients and absolute line intensities have been calculated for the E~2π-X~2σ~+ transition of CaH. Using wavefunctions derived from the Rydberg-Klein-Rees (RKR) method and electronic transition dipole moment functions obtained from high-level ab initio calculations, rotationless transition dipole moment matrix elements have been calculated for all 10 bands involving v'=0,1 of the E~2π state and v"=0,1,2,3,4 of the X~2σ state. The rotational line strength factors (H?nl-London factors) are derived for the intermediate coupling case between Hund's case (a) and (b) for the E~2π-X~2σ~+ transition. The computed transition dipole moments and the spectroscopic constants from a recent study [Ram et al., Journal of Molecular Spectroscopy 2011;266:86-91] have been combined to generate line lists containing Einstein A coefficients and absolute line intensities for 10 bands of the E~2π-X~2σ~+ transition of CaH for J-values up to 50.5. The absolute line intensities have been used to determine a rotational temperature of 778±3°C for the CaH sample in the recent study.