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The Journal of Chemical Physics|January 14, 2012
A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basisMałgorzata Olejniczak, Radovan Bast, Trond Saue, et al.Physical Chemistry Chemical Physics : PCCP|November 18, 2020
Ground and excited electronic states of AuH2via detachment energies on AuH2- using state-of-the-art relativistic calculationsDiego Sorbelli, Paola Belanzoni, Trond Saue, et al.The Journal of Chemical Physics|May 8, 2023
Transition moments beyond the electric-dipole approximation: Visualization and basis set requirementsMartin van Horn, Nanna Holmgaard List, Trond SaueThe Journal of Chemical Physics|February 9, 2022
Probing chirality across the electromagnetic spectrum with the full semi-classical light-matter interactionMartin van Horn, Trond Saue, Nanna Holmgaard ListNature Chemistry|October 31, 2018
Relativistic quantum chemical calculations show that the uranium molecule U2 has a quadruple bondStefan Knecht, Hans Jørgen Aa Jensen, Trond SaueThe Journal of Chemical Physics|October 2, 2009
The molecular mean-field approach for correlated relativistic calculationsJetze Sikkema, Lucas Visscher, Trond Saue, et al.Physical Chemistry Chemical Physics : PCCP|November 15, 2011
4-Component relativistic magnetically induced current density using London atomic orbitalsDavid Sulzer, Małgorzata Olejniczak, Radovan Bast, et al.The Journal of Chemical Physics|August 5, 2004
Electric field effects on the shielding constants of noble gases: a four-component relativistic Hartree-Fock studyMagdalena Pecul, Trond Saue, Kenneth Ruud, et al.Journal of Computational Chemistry|November 29, 2005
Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (M(p+) = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+)Christophe Gourlaouen, Jean-Philip Piquemal, Trond Saue, et al.The Journal of Physical Chemistry. A|November 21, 2014
Four-component relativistic calculations in solution with the polarizable continuum model of solvation: theory, implementation, and application to the group 16 dihydrides H2X (X = O, S, Se, Te, Po)Roberto Di Remigio, Radovan Bast, Luca Frediani, et al.Pageof 6