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

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 \Lambda-S states and 18 \Omega states are calculated. The dipole moments of 10 \Lambda-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 A^2\Sigma^+, c^4\Sigma^- and F^2\Sigma^- are discussed. The Franck-Condon factors of A^2\Sigma^+-X^2\Pi , F^2\Sigma^--X^2\Pi and E^2\Sigma^+-X^2\Pi transitions are determined, and the radiative lifetimes of A^2\Sigma^+ and F^2\Sigma^- states are evaluated, which are in good agreement with previous experimental results.