Theoretical investigation of electronic states and spectroscopic properties of tellurium selenide molecule employing relativistic effective core potentials

Ab initio based relativistic configuration interaction calculations have been performed to study the electronic states and spectroscopic properties of tellurium selenide (TeSe) – the heaviest heteronuclear diatomic group 16–16 molecule. Potential energy curves of several spin-excluded (Λ–S) electronic states of TeSe have been constructed and spectroscopic constants of low-lying bound Λ–S states within 3.85 eV are reported in the first stage of...