Now showing items 1-4 of 4

    • Analytic cubic and quartic force fields using density-functional theory 

      Ringholm, Magnus; Jonsson, Dan Johan; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas johan; Ekstrøm, Ulf; Helgaker, Trygve; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2014)
    • Gauge-origin independent calculations of Jones birefringence 

      Shcherbin, Dmitri; Thorvaldsen, Andreas johan; Jonsson, Dan Johan; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2011)
      We present the first gauge-origin independent formulation of Jones birefringence at the Hartree–Fock level of theory. Gauge-origin independence is achieved through the use of London atomic orbitals. The implementation is ...
    • Magnetic properties with multiwavelets and DFT: The complete basis set limit achieved 

      Jensen, Stig Rune; Flå, Tor; Jonsson, Dan Johan; Monstad, Rune Sørland; Ruud, Kenneth; Frediani, Luca (Journal article; Tidsskriftartikkel; Peer reviewed, 2016-04-11)
      Multiwavelets are emerging as an attractive alternative to traditional basis sets such as Gaussian-type orbitals and plane waves. One of their distinctive properties is the ability to reach the basis set limit (often a ...
    • The origin dependence of the material constants: the permittivity and the inverse permeability 

      Anelli, Marco; Jonsson, Dan Johan; Fliegl, Heike; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2015-05-26)
      New derivations of origin-independent expressions for the electric permittivity are presented, starting either from the response function of the current density that defines the absorption coefficient, or from the ...