ELECTRONIC-STRUCTURE AND PERTURBATIONS - INTERPRETATION IN THE SIO VALENCE STATES

Using SCF-CI wavefunctions, we have calculated energies and spectroscopic constants of low-lying states of SiO. Special attention has been paid to the 3Π states and has led to the prediction of a new state lying close to the observed c3Πi state. Ab initio calculations of parameters characteristic of the perturbations occurring between the valence states of SiO have been performed and compared to experimental deperturbation analysis of Field, Lagerqvist, and Renhorn. © 1979.