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    • Density-dependent onset of the long-range exchange: a key to donor-acceptor properties 

      Modrzejewski, Marcin; Rajchel, Łukasz; Chałasiński, Grzegorz; Szczęśniak, Małgorzata (American Chemical Society, 2013-10-16)
      Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor–acceptor systems and engineered band gap materials. This promise is contingent ...