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

作者：Wang, Xinxin^*; Shi, Deheng; Zhou, Dan; Zhu, Zunlue; Sun, Jinfeng

来源：European Physical Journal D, 2015, 69(11): 254.

DOI：10.1140/epjd/e2015-60394-x

• CONFIGURATION-INTERACTION CALCULATIONS
• CORRELATED MOLECULAR CALCULATIONS
• GAUSSIAN-BASIS SETS
• BORON MONOSULFIDE
• ENERGY

The potential energy curves of 10 Lambda 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 2(3)Pi(0-), 2(3)Pi(0+), 2(3)Sigma(-)(0) and 2(3)Sigma(-)(1) states to ground state 1(3)Pi(2) are predicted for future experiment.

• 出版日期2015-11-17
• 单位河南师范大学