Browsing Kjemisk institutt by Author "Wirz, Lukas Nico"

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  • Magnetically Induced Ring-Current Strengths in Möbius Twisted Annulenes 
    Wirz, Lukas Nico; Dimitrova, Maria; Fliegl, Heike; Sundholm, Dage (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
    The topology of twisted molecular rings is characterized by the linking number, which is equal to the sum of the twist—a local property of the molecular frame—and the writhe—a global parameter, which represents the bending ...
  • On Resolution-of-the-Identity Electron Repulsion Integral Approximations and Variational Stability 
    Wirz, Lukas Nico; Reine, Simen Sommerfelt; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
    The definiteness of the Mulliken and Dirac electron repulsion integral (ERI) matrices is examined for different classes of resolution-of-the-identity (RI) ERI approximations with particular focus on local fitting techniques. ...