Theoretical study of electric dipole and transition moments of GeH, SnH, and PbH

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Abstract
Electric dipole and transition moments are calculated in the relativistic CI formalism for five low‐lying states of GeH, SnH, and PbH. In addition, results of complete active space MCSCF/CI calculations of the ground statedipole moments of these molecules are described. The ground statedipole moments (μ e ) of GeH, SnH, and PbH are calculated to be 0.09, 0.39, and 0.94 D, respectively, with polarity (M+H−) in all cases. Transition moments for the ω‐ω components of the 2Π→4Σ− and 2Π→2Δ transitions in these molecules are calculated and compared with available experimental findings. The spin‐orbit interaction is found to make a significant contribution to the dipole and transition moments of PbH.