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

In: The European Physical Journal D   ;  69 ,  11  ;  1-11  ;  2015

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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 23Π0-, 23Π0+, 23Σ0 - and 23Σ1 - states to ground state 13Π2 are predicted for future experiment.

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