Simulations of Frequency-Domain Spectra: Structure-Function Relationships in Photosynthetic Pigment-Protein Complexes

The theory of dissipative exciton motion in chromophore complexes is applied to develop an approximate scheme for the simulation of frequency-domain linear absorption and circular dichroism. Besides lifetime broadening of the exciton lines and the inclusion of vibrational satellites in the spectra, the computations also account for static disorder. In applying the theory to a pigment protein complex of the photosynthetic light harvesting complex LHC-II of green plants the temperature dependence of linear absorption can be well reproduced.