An understanding of efficiency of the solar energy utilization by peridinin-chlorophyll-protein (PCP) light harvesting complexes is an important step towards designing a new generation of solar cells. In the present study, electronic excited states of separate chromophores (chlorophylls and carotenoids) constituting the PCP complex are estimated using the time-dependent density functional theory (TD-DFT). The couplings of excited states of the chromophores are obtained using the F�rster dipole-dipole approximation. Finally, the extended H�ckel approach is employed to reconstruct electronic excitations in a PCP complex from electronic excitations of separate chromophores. The software implementing the proposed computational methodology and taking advantage of modern hardware architectures (Graphics Processing Units�GPUs) is discussed.

Extended H�ckel approach for modeling electronic excitations in peridinin-chlorophyll protein complex

248th National Meeting (2014)

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