Theoretical study of the A1Π-X1Σ+ and E1Σ+-X1Σ+ bands of SiO

Franck-Condon factors and radiative lifetimes of the A(1) pi-X-1 Sigma(+) and E-1 Sigma(+)- X-1 Sigma(+) transitions of the SiO-molecule have been calculated from accurate ab initio MRCI calculations including electronic transition moment variations. A comparison of the present results with the RKR potentials shows a good agreement and the deduced spectroscopic constants agree reasonably well with the experimental values. The variations of the electronic transition moment of the two bands are compared with the few experimental data and critically discussed. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.