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roberiz

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Academic interests

  • Wave function based quantum chemistry
  • Efficient Fock exchange methods
  • Efficient post-Hartree-Fock methods
  • Excited states
  • Accurate calculation of chemical properties
     

Publications

  • Ryding, Mauritz Johan Olof; Izsak, Robert; Merlot, Patrick; Reine, Simen Sommerfelt; Helgaker, Trygve & Uggerud, Einar (2015). Geometry of the magic number H+(H2O)21 water cluster by proxy. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  17, s 5466- 5473 . doi: 10.1039/C4CP05246C
  • Merlot, Patrick; Izsak, Robert; Borgoo, Alex; Kjærgaard, Thomas; Helgaker, Trygve & Reine, Simen Sommerfelt (2014). Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution. Journal of Chemical Physics.  ISSN 0021-9606.  141(9) . doi: 10.1063/1.4894267

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  • Rebolini, Elisa; Izsak, Robert; Reine, Simen Sommerfelt; Helgaker, Trygve & Pedersen, Thomas Bondo (2016). Comparison of three efficient approximate exact-exchange algorithms: chain-of-spheres, pair-atomic resolution of the identity, and the auxiliary density matrix method.

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Published Feb. 4, 2014 1:51 PM - Last modified Feb. 5, 2014 2:01 PM

Research groups