Atoms and molecules in soft confinement potentials
Pašteka, L. F., Helgaker, T., Saue, T., Sundholm, D., Werner, H.-J., Hasanbulli, M., Major, J., Schwerdtfeger, P.
Published in Molecular physics (17.10.2020)
Published in Molecular physics (17.10.2020)
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Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory
Paterson, Martin J, Christiansen, Ove, Pawłowski, Filip, Jorgensen, Poul, Hättig, Christof, Helgaker, Trygve, Sałek, Paweł
Published in The Journal of chemical physics (07.02.2006)
Published in The Journal of chemical physics (07.02.2006)
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Maps of current density using density-functional methods
Soncini, A, Teale, A M, Helgaker, T, De Proft, F, Tozer, D J
Published in The Journal of chemical physics (21.08.2008)
Published in The Journal of chemical physics (21.08.2008)
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Calculations of two-photon absorption cross sections by means of density-functional theory
Sałek, Paweł, Vahtras, Olav, Guo, Jingdong, Luo, Yi, Helgaker, Trygve, Ågren, Hans
Published in Chemical physics letters (18.06.2003)
Published in Chemical physics letters (18.06.2003)
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The trust-region self-consistent field method: towards a black-box optimization in Hartree-Fock and Kohn-Sham theories
Thøgersen, Lea, Olsen, Jeppe, Yeager, Danny, Jørgensen, Poul, Sałek, Paweł, Helgaker, Trygve
Published in The Journal of chemical physics (01.07.2004)
Published in The Journal of chemical physics (01.07.2004)
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Linear-scaling formation of Kohn-Sham Hamiltonian: application to the calculation of excitation energies and polarizabilities of large molecular systems
Watson, Mark A, Sałek, Paweł, Macak, Peter, Helgaker, Trygve
Published in The Journal of chemical physics (15.08.2004)
Published in The Journal of chemical physics (15.08.2004)
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Journal Article
The Calculation of Indirect Nuclear Spin-Spin Coupling Constants in Large Molecules
Watson, Mark A., Sałek, Paweł, Macak, Peter, Jaszuński, Michał, Helgaker, Trygve
Published in Chemistry : a European journal (20.09.2004)
Published in Chemistry : a European journal (20.09.2004)
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