Accurate spectroscopic properties of 10 Λ-S states and 25 Ω states of BS⁺ cation including the electronic transition properties

Abstract

The potential energy curves of 10 Λ–S states of BS⁺ yielded from the first four dissociation limits are calculated by the internally contracted multireference configuration interaction approach with the Davidson correction. The core-valence correlation and scalar relativistic corrections are included. Basis on the calculated potential energy curves, the spectroscopic parameters are evaluated. All the PECs are extrapolated to the complete basis set limit. The spin-orbit coupling are taken into account by the state interaction method with the Breit-Pauli Hamiltonian. Finally, the transition dipole moments, Franck-Condon Factors and radiative lifetimes of transitions from the 2³Π_0-, 2³Π₀₊, 2³Σ₀ ^- and 2³Σ₁ ^- states to ground state 1³Π₂ are predicted for future experiment.