Three-Parameter Electric Dipole Moment Function for the CO Molecule.

Abstract

A global electric dipole moment function of the ground electronic state of carbon monoxide is constructed by morphing its best theoretical approximants from the literature to the best available experimental data within the framework of the reduced radial curve approach. The resulting functions coincide with their best many-parameter empirical counterparts so closely that they can be used as highly accurate three-parameter representations. Apparently, given the mathematical nature of the problem addressed, this approach can be applied equally well to all radial molecular functions that have similarly cumbersome shapes as the function probed. This means that the property characteristics of diatomic molecules can, in principle, be described with high precision even when as few as three pertinent experimental data points are accurately known. To date, no such functional approximants are available in the literature.