Browsing Kjemisk institutt by Author "Wibowo-Teale, Meilani"

Now showing items 1-3 of 3

  • 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 ...
  • QSym 2: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure 
    Huynh, Bang C.; Wibowo-Teale, Meilani; Teale, Andrew Michael (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2024)
    Symmetry provides a powerful machinery to classify, interpret, and understand quantum-mechanical theories and results. However, most contemporary quantum chemistry packages lack the ability to handle degeneracy and symmetry ...
  • Real-time time-dependent self-consistent field methods with dynamic magnetic fields 
    Wibowo-Teale, Meilani; Ennifer, Benjamin J.; Teale, Andrew Michael (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    The first finite basis set implementation of the real-time time-dependent self-consistent field method in a dynamic (time-dependent) magnetic field using London atomic orbitals (LAOs) is presented. The accuracy of the ...