Highly accurate theoretical study on spectroscopic properties of SH including spin-orbit coupling

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The multi-reference configuration interaction method plus Davidson correction (MRCI+Q) are adopted to study the low-lying states of SH with consideration of scalar relativistic effect,core-valence (CV) electron correlation,and spin-orbit coupling (SOC) effect.The SOC effect on the low-lying states is considered by utilizing the full Breit-Pauli operator.The potential energy curves (PECs) of 10 A-S states and 18 Ω states are calculated.The dipole moments of 10 A-S states are calculated,and the variation along the internuclear distance is explained by the electronic configurations.With the help of calculated SO matrix elements,the possible predissociation channels of A2Σ+,c4Σ and F2Σ are discussed.The Franck-Condon factors of A2Σ+-X2Π,F2Σ-X2Π and E2Σ+-X2Π transitions are determined,and the radiative lifetimes of A2Σ+ and F2Σ-states are evaluated,which are in good agreement with previous experimental results.
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