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    • Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory 

      Hapka, Michał; Modrzejewski, Marcin; Chałasiński, Grzegorz; Szczęśniak, Małgorzata; Rajchel, Łukasz (AIP Publishing, 2014-10-07)
      The aim of this study is to present a performance test of optimally tuned long-range corrected (LRC) functionals applied to the symmetry-adapted perturbation theory (SAPT). In the present variant, the second-order energy ...