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note
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Calculations individually involved determining the excitation energies for HOMO→LUMO, HOMO-1→LUMO, HOMO→LUMO and LUMO + 1,2 etc. which allowed the energies of specific states to be determined in isolation from others with which they might couple. Use was also made of the property of a matrix such that the trace is constant. Thus, for example, the sum of the three calculated E transitions is a constant irrespective of whether the mixed or unmixed E states are considered. For degenerate e→e transitions, the singlet-triplet separation is not 2K, but has additional terms [59]. These states are omitted form this analysis.
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