L‘Ag state

Photoinduced absorption from the 1 B state indicates another triplet state 1.4 eV higher in energy (Monkman et al. 2001). This state is the l Ag state, which is almost degenerate with the rrAAg state. 

The assignments of the most intense bands seen in the experimental spectrum (bands B-D) agree with those from previous semiempirical PPP-type calculations and will not be discussed here. Substantial disagreement between the theoretical and experimental data is observed only for the band A assigned to the l Ag state that is calculated too high by 0.5 eV. The transition to the l Big state (band B) is described almost perfectly while the... 

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