most citedExact Coulomb cutoff technique for supercell calculations in two dimensions

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cond-mat.mtrl-sci2009★ 1 cited

Photo-excitation of a light-harvesting supra-molecular triad: a Time-Dependent DFT study

N. Spallanzani, C. A. Rozzi, D. Varsano +4

We present the first time-dependent density-functional theory (TDDFT) calculation on a light harvesting triad carotenoid-diaryl-porphyrin-C60. Besides the numerical challenge that…