CARBON-DIOXIDE MOLECULE - POTENTIAL, SPECTROSCOPIC, AND MOLECULAR-CONSTANTS FROM ITS INFRARED-SPECTRUM

The potential energy function of the carbon dioxide molecule is determined from a very large set of vibrorotational data belonging to several isotopic species. Starting from this potential, theoretical values of the spectroscopic constants and the molecular constants are computed for 10 isotopic species of this molecule. These values are shown to agree with the observed values to within the limits of the mean experimental accuracy. The theoretical framework of this study (approximations and methodology), is briefly recalled. An extension is presented which results in diagonalizing infinite truncated matrices. © 1979.