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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 13, 2006
The equilibrium structure of ferroceneSonia Coriani, Arne Haaland, Trygve Helgaker, et al.
The Journal of Chemical Physics|January 3, 2019
A computational quantum-mechanical model of a molecular magnetic trapLudwik Adamowicz, Monika Stanke, Erik Tellgren, et al.
The Journal of Chemical Physics|December 25, 2016
Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fittingChandan Kumar, Thomas Kjærgaard, Trygve Helgaker, et al.
Journal of Chemical Theory and Computation|December 8, 2015
The Rotational g Tensor as a Benchmark for Density-Functional Theory Calculations of Molecular Magnetic PropertiesDavid J D Wilson, Chris E Mohn, Trygve Helgaker
Physical Chemistry Chemical Physics : PCCP|October 20, 2020
Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentumJon Austad, Alex Borgoo, Erik I Tellgren, et al.
The Journal of Chemical Physics|September 16, 2004
Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N(2), F(2), and COTorgeir A Ruden, Trygve Helgaker, Poul Jørgensen, et al.
Physical Chemistry Chemical Physics : PCCP|June 7, 2008
Second-order Møller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theoryPål Dahle, Trygve Helgaker, Dan Jonsson, et al.
The Journal of Chemical Physics|August 5, 2004
Linear-scaling formation of Kohn-Sham Hamiltonian: application to the calculation of excitation energies and polarizabilities of large molecular systemsMark A Watson, Paweł Sałek, Peter Macak, et al.
The Journal of Chemical Physics|December 10, 2008
Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energiesKasper Kristensen, Poul Jørgensen, Andreas J Thorvaldsen, et al.
Physical Chemistry Chemical Physics : PCCP|July 7, 2007
Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets: applications to atoms and diatomicsPål Dahle, Trygve Helgaker, Dan Jonsson, et al.
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