Browsing Kjemisk institutt by Author "Aurbakken, Einar"

Now showing items 1-7 of 7

  • Adiabatic extraction of nonlinear optical properties from real-time time-dependent electronic-structure theory 
    Ofstad, Benedicte Sverdrup; Kristiansen, Håkon Emil; Aurbakken, Einar; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These properties can be extracted by assuming convergence of the power ...
  • 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 ...
  • Local Møller-Plesset perturbation theory for periodic systems - a study of long-range interactions and convergence. 
    Aurbakken, Einar (Master thesis / Masteroppgave, 2020)
  • 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 ...
  • Smooth potential-energy surfaces in fragmentation-based local correlation methods for periodic systems 
    Hansen, Audun Skau; Aurbakken, Einar; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2021)
    Local approximations facilitate the application of post-Hartree–Fock methods in the condensed phase, but simultaneously introduce errors leading to discontinuous potential-energy surfaces. In this work, we explore how these ...
  • Time-Dependent Coupled-Cluster Theory 
    Ofstad, Benedicte Sverdrup; Aurbakken, Einar; Schøyen, Øyvind Sigmundson; Kristiansen, Håkon Emil; Kvaal, Simen; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
    Recent years have witnessed an increasing interest in time-dependent coupled-cluster (TDCC) theory for simulating laser-driven electronic dynamics in atoms and molecules, and for simulating molecular vibrational dynamics. ...
  • Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions 
    Aurbakken, Einar; Ofstad, Benedicte; Kristiansen, Håkon Emil; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Sørensen, Lasse Kragh; Lindh, Roland; Pedersen, Thomas Bondo (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
    Based on the work done by an electromagnetic field on an atomic or molecular electronic system, a general gauge invariant formulation of transient absorption spectroscopy is presented within the semi-classical approximation. ...