Theoretical characterization of the low-lying excited states of the CuCl molecule (original) (raw)
1997, The Journal of Chemical Physics
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Theoretical description of the low-lying excited states of CuCl
Chemical Physics Letters, 1987
The low-lying excited states of CuCl have been investigated theoretically in the Hartree-Fock approximation. Spin-orbit interactions have been included semi-empirically using an atoms-in-molecules technique. All six excited states that were previously characterized experimentally are found to arise from fine structure sublevels of the Cu+ ( 3d94s 1.3D)CI-( 3p6 IS) configuration.
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