Fig. 1

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PECs and TDMs for . Panels a and b depict the PECs for the
. Specifically, panel a illustrates the ground state
along with the ten energetically lowest excited states of
symmetry, represented by solid lines. In panel b, the PECs for the ground state
and six lowest excited states of 2Πu symmetry are illustrated by dashed lines. Panels c and d present the corresponding TDMs describing transitions from the ground state
to the excited electronic states with
and 2Πu symmetries, respectively, again indicated by solid and dashed lines.
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