Browsing Kjemisk institutt by Author "Hauge, Eirill Strand"

Now showing items 1-4 of 4

  • Cost-Efficient High-Resolution Linear Absorption Spectra Through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory 
    Hauge, Eirill Strand; Kristiansen, Håkon Emil; Konecny, Lukas; Kadek, Marius; Repisky, Michal; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    We present a novel function fitting method for approximating the propagation of the time-dependent electric dipole moment from real-time electronic structure calculations. Real-time calculations of the electronic absorption ...
  • Extrapolating the Electric Dipole Moment 
    Hauge, Eirill Strand (Master thesis / Masteroppgave, 2021)
  • Linear and Nonlinear Optical Properties from TDOMP2 Theory 
    Kristiansen, Håkon Emil; Ofstad, Benedicte Sverdrup; Hauge, Eirill Strand; Aurbakken, Einar; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)
    We present a derivation of real-time (RT) time-dependent orbital-optimized Møller–Plesset (TDOMP2) theory and its biorthogonal companion, time-dependent non-orthogonal OMP2 theory, starting from the time-dependent bivariational ...
  • Magnetic optical rotation from real-time simulations in finite magnetic fields 
    Ofstad, Benedicte; Wibowo-Teale, Meilani; Kristiansen, Håkon Emil; Aurbakken, Einar; Kitsaras, Marios-Petros; Schøyen, Øyvind Sigmundson; Hauge, Eirill Strand; Irons, Tom J. P.; Kvaal, Simen; Stopkowicz, Stella; Wibowo-Teale, Andrew M.; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
    We present a numerical approach to magnetic optical rotation based on real-time time-dependent electronic-structure theory. Not relying on perturbation expansions in the magnetic-field strength, the formulation allows us ...