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State-averaged orbitals, direct molecular

In contrast to polyenes the aromatic molecules exhibit not only the Ti — So absorption, but also the longlived T — So emission, which gives rise to phosphorescence phenomena of rigid solvents and crystals. This is another important field of applications of spin-orbit quadratic response theory. Such calculations refer to lifetimes, transition moments, oscillator strengths and polarization directions for the radiative decay of molecular triplet states. These quantities may either be averaged over the triplet levels or refer to specific triplet spin sublevels depending on the conditions for the relevant experimental measurements. [Pg.129]


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Directed molecular states

Directed orbitals

Directed states

Molecular averages

Molecular states

State average

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