Now showing items 1-2 of 2

  • 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 ...