Chemical Physics Letters, Vol.671, 92-99, 2017
MRCI plus Q calculations on spectroscopic properties of excited states of PbH including spin-orbit coupling
The 10 Lambda-S states associated with the lowest four dissociation limits of PbH radical have been studied utilizing configuration interaction method. For better accuracy, the Davidson correction, core-valence correlation and spin-orbit coupling effects are included. The potential energy curves of 10 Lambda-S states and 18 Omega states have been obtained and characterized. The computed dipole moments of 10 Lambda-S states are used to reveal the ionic characteristics of the Lambda-S states. Finally, the transitional dipole moments of several bound 52 states and lifetimes of vibrational states trapped in excited bound SI states are determined. (C) 2017 Elsevier B.V. All rights reserved.