Global fit of 12C16O2 vibrational rotational line intensities using the effective operator approach.

Computer Science

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Carbon Dioxide: Molecular Processes, Carbon Dioxide: Line Intensities, Carbon Dioxide: Earth Atmosphere

Scientific paper

More than 5000 observed line intensities belonging to 120 vibrational bands of the 12C16O2 molecule selected from the literature have been used to fit 60 parameters of an effective dipole moment. The eigenfunctions of the effective Hamiltonian published in a recent paper have been used in the fits. The regions of ν2, 3ν2, 5ν2, 7ν2, 9ν2, and 11ν2 bands have been studied. RMS deviations ranging from 2.9 to 13.3% depending on the frequency regions have been achieved. The quality of the fits and the extrapolation properties of the fitted parameters are discussed. The predictions of both line positions and line intensities for perturbed bands 21113←11102, 21113←11101, 40002←11102, 12212←02201, and 23301←02201 are given. The results are compared with the HITRAN-96 database.

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