A theoretical investigation of the A 3Π–X 3Σ− transition in SO

Complete-active-space self-consistent-field and multireference configuration interaction methods, and correlation-consistent polarized-valence quintuple-zeta basis sets, including up to g-functions, were used to describe the A 3Π–X 3Σ− transition of the SO radical. Potential energy curves, transition dipole moments over a wide range of internuclear distances, and radiative lifetimes for the A 3Π state are reported.