• Advancing relativistic electronic structure methods for solids and in the time domain 

      Kadek, Marius (Doctoral thesis; Doktorgradsavhandling, 2018-08-28)
      Effects arising from the special theory of relativity significantly influence the electronic structure and properties of molecules and solid-state materials containing heavy elements. At the same time, the inclusion of the relativistic effects in theoretical and computational models increases their methodological complexity and the computational cost. In the solid state, additional challenges ...