ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
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 state dipole moments of these molecules are described. The ground state dipole moments (μe) 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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.453883
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