| Abstract
| - Ab initio based configuration interaction calculations have been carried out to study the low-lying electronicstates and spectroscopic properties of the heaviest nonradioactive silicon chalcogenide molecule and itsmonopositive ion. Spectroscopic constants and potential energy curves of states of both SiTe and SiTe+ within5 eV are reported. The calculated dissociation energies of SiTe and SiTe+ are 4.41 and 3.52 eV, respectively.Effects of the spin−orbit coupling on the electronic spectrum of both the species are studied in detail. Thespin−orbit splitting between the two components of the ground state of SiTe+ is estimated to be 1880 cm-1.Transitions such as 0+(II)-X, 0+(III)-X, E-X, and AΠ1-Xare predicted to be strong inSiTe. The radiative lifetime of the A1Π state is less than a microsecond. The X2Π1/2-X12Π3/2 transition inSiTe+ is allowed due to spin−orbit mixing. However, it is weak in intensity with a partial lifetime for the X2state of about 108 ms. The electric dipole moments of both SiTe and SiTe+ in their low-lying states arecalculated. The vertical ionization energies for the ionization of the ground-state SiTe to different ionic statesare also reported.
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