Fig. 2: Pentacene dimer models and computed absorption spectra.
From: Machine learning photodynamics decode multiple singlet fission channels in pentacene crystal
Illustrations of the pentacene crystal models for a the herringbone and b parallel dimers. Simulated absorption bands of c the herringbone and d parallel dimer, computed at the SA6-CASSCF(4,4)/cc-pVDZ level. The intensities are normalized to the maximum average oscillator strengths. The terms bright and dark indicate the regions of transition-allowed and forbidden wavelengths.
