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First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications
First-principles GW calculations for fullerenes fullerenes porphyrins phtalocyanine
2010/11/23
We evaluate the performances of ab initio GW calculations for the ionization energies and HOMOLUMOgaps of thirteen gas phase molecules of interest for organic electronic and photovoltaic applications,...