• Real-space all-electron Density Functional Theory with Multiwavelets 

      Jensen, Stig Rune (Doctoral thesis; Doktorgradsavhandling, 2014-03-20)
      This thesis presents the implementation of a numerical real-space method for the calculation of the electronic structure of molecular systems within the self-consistent field approximations of quantum chemistry. The code is based on the multi-resolution multiwavelet basis which provide sparse representations of functions and operators, in particular integral operators with Green's function convolution ...