Determination of dunham coefficients and calculation of the energies of highly excited vibrational-rotational levels of the carbon monoxide molecule in the electronic ground state

CO laser line wavenumbers and absorption of their radiation by gaseous nitrogen oxides

“…As a starting point for finding the Dunham coefficients, we used a set of VR energy levels, calculated from formula (1) to V max = 40, J max = 40, using the data in [5]. Based on the result in [20], the Dunham coefficients were obtained for the case k max = 4, l max = 3 (set 1). In this case, there is a large RMS equal to 0.435 (table 1).…”

“…The authors of this work proposed to calculate the values of the Dunham coefficients for the ground electronic state of a carbon monoxide molecule on the basis of the values of effective rotational and centrifugal constants [20]. A special feature of the approach was the use of VR level energies of a diatomic molecule in a single electronic state calculated according to the known polynomial formula [1]…”

“…In [20], we obtained a set of Dunham coefficients on the basis of a set of effective rotational and centrifugal constants found directly from the experiment [10], and up to vibrational states V max = 16. In this work, we used a set calculated by the authors [5] to V max = 40.…”

“…In the course of work on [20], it became clear that there was no clear justification for the physical criteria for choosing the maximal degrees of Dunham polynomial, since according to the perturbation theory [21], the higher the degree, the higher the orders of perturbation theory are taken into account in the fitting coefficients, and accordingly the original data should be recovered with a smaller error. However, the increase in the condition number involved in minimization procedure matrices with increasing their order has a stronger influence on the accuracy of the determination of Dunham coefficients.…”

Time-resolved Fourier transform infrared emission spectroscopy of CO ∆v = 1 and ∆v = 2 extended bands in the ground X1Σ+ state produced by formamide glow discharge

“…Previously, Farrenq et al 13 Alongside the aforementioned publications, other experimental or theoretical high precision data for various CO isotopes [14][15][16][17][18][19][20][21][22][23][24][25][26][27][28] or CO-related research have been published. [29][30][31][32][33][34][35] Critical evaluation of measured pure-rotation and rotation-vibration line positions and an experimental dataset of energy levels of 12 C 16 O in X 1 Σ + state was carried out by Tashkun 36 and by T.I.…”