Spectroscopic properties and radiative lifetimes of SiTe：A high-level multireference configuration interaction investigation

The 18 Λ-S states correlated to the lowest dissociation limit of SiTe were calculated by using a high-level multireference configuration interaction (MRCI) method, including scalar relativistic and spin-orbit coupling effects. Based on the calculated potential energy curves, the spectroscopic constants of bound states were determined, which are well consistent with previous experimental results. The spin-orbit matrix elements between the Λ-S states were computed, which lead to an in-depth understanding of perturbations on the electronic state a³Π. Finally, the transition dipole moments of allowed transitions A¹Π-X¹Σ⁺, E¹Σ⁺-X¹Σ⁺, a³Π-d³Δ, a³Π-a'³Σ⁺, a³Π-e³Σ^-, and the radiative lifetimes of A¹Π, E¹Σ⁺, and a³Π were evaluated.