Trepo - Selaus tekijän mukaan "Pittalis, Stefano"

    • Density functional approach to the band gaps of finite and periodic two-dimensional systems 

      Guandalini, Alberto; Ruini, Alice; Räsänen, Esa; Rozzi, Carlo A.; Pittalis, Stefano (2021)
      article
      <p>We present an approach based on density functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is ...
    • Fundamental gaps of quantum dots on the cheap 

      Guandalini, Alberto; Rozzi, Carlo A.; Räsänen, Esa; Pittalis, Stefano (25.03.2019)
      article
      <p>We show that the fundamental gaps of quantum dots can be accurately estimated at the computational effort of a standard ground-state calculation supplemented with a non-self-consistent step of negligible cost, all ...