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2019
1 Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen; Helgaker, Trygve.
Guaranteed convergence of a regularized Kohn-Sham iteration in finite dimensions. Annual Meeting in Quantum and Computational Chemistry of the Norwegian Chemical Society; 2019-10-08 - 2019-10-09
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2 Laestadius, Andre; Tellgren, Erik; Penz, Markus; Ruggenthaler, Michael; Kvaal, Simen; Helgaker, Trygve.
Kohn–Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability. Journal of Chemical Theory and Computation 2019 ;Volume 15.(7) p. 4003-4020
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3 Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael.
Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions. Physical Review Letters 2019 ;Volume 123.(3)
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4 Reimann, Sarah; Borgoo, Alex; Austad, Jon; Tellgren, Erik; Teale, Andrew Michael; Helgaker, Trygve; Stopkowicz, Stella.
Kohn–Sham energy decomposition for molecules in a magnetic field. Molecular Physics 2019 ;Volume 117.(1) p. 97-109
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5 Sen, Sangita; Lange, Kai Kaarvann; Tellgren, Erik.
Excited States of Molecules in Strong Uniform and Nonuniform Magnetic Fields. Journal of Chemical Theory and Computation 2019 ;Volume 15.(7) p. 3974-3990
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6 Tellgren, Erik; Helgaker, Trygve; Sen, Sangita.
Unifying kinetic energy density and current density in density-functional theory. Theoretical and Computational Chemistry of Complex Systems; 2019-07-18 - 2019-07-18
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7 Tellgren, Erik; Helgaker, Trygve; Sen, Sangita.
Unifying kinetic energy density and current density in density-functional theory. Invitert forelesning; 2019-07-25 - 2019-07-25
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8 Tellgren, Erik; Helgaker, Trygve; Sen, Sangita.
Unifying kinetic energy density and current density in density-functional theory. Invitert forelesning; 2019-07-22 - 2019-07-22
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2018
9 Adamowicz, Ludwik; Stanke, Monika; Tellgren, Erik; Helgaker, Trygve.
A computational quantum-mechanical model of a molecular magnetic trap. Journal of Chemical Physics 2018 ;Volume 149.(24) p. 244112-1-244112-11
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10 Fliegl, Heike; Helgaker, Trygve; Tellgren, Erik.
The effect of strong magnetic fields on the ring currents of tetraoxaisophlorin. Atoms, Molecules, and Materials in Extreme Environments (CAS Meeting); 2018-06-04 - 2018-06-06
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11 Helgaker, Trygve; Borgoo, Alex; Dimitrova, Maria; Gauss, Jurgen; Hampe, Florian; Holzer, Christof; Klopper, Wim; Saue, Trond; Schwerdtfeger, Peter; Stopkowicz, Stella; Sundholm, Dage; Teale, Andrew Michael; Tellgren, Erik.
Diamagnetism and Paramagnetism in Atoms and Molecules. Methods and Algorithms in Quantum Chemistry,; 2018-12-13 - 2018-12-15
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12 Helgaker, Trygve; Borgoo, Alex; Gauss, Jurgen; Hampe, Florian; Klopper, Wim; Reimann, Sarah; Stopkowicz, Stella; Teale, Andrew M.; Tellgren, Erik.
Closed-Shell Molecular Paramagnetism. The 3rd Workshop on Magnetically Induced Currents in Molecules (MAGIC 2018); 2018-09-23 - 2018-09-28
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13 Helgaker, Trygve; Borgoo, Alex; Gauss, Jurgen; Hampe, Florian; Klopper, Wim; Reimann, Sarah; Stopkowicz, Stella; Teale, Andrew Michael; Tellgren, Erik.
Closed-Shell Molecular Paramagnetism. A Voyage from Nonlinear Optics to Biophotonics —Joining Theory and Experiment; 2018-09-21 - 2018-09-22
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14 Helgaker, Trygve; Borgoo, Alex; Gauss, Jurgen; Hampe, Florian; Klopper, Wim; Stopkowicz, Stella; Teale, Andrew M.; Tellgren, Erik.
Closed-Shell Molecular Magnetism. 16th International Congress of Quantum Chemistry; 2018-06-18 - 2018-06-23
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15 Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen; Helgaker, Trygve.
Generalized Kohn-Sham iteration on Banach Spaces. Mathematical Methods in Quantum Chemistry; 2018-03-18 - 2018-03-23
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16 Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen; Helgaker, Trygve.
Generalized Kohn-Sham iteration on Banach spaces. Journal of Chemical Physics 2018 ;Volume 149.(16) p. 1-9
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17 Laestadius, Andre; Tellgren, Erik.
Density-wave-function mapping in degenerate current-density-functional theory. Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2018 ;Volume 97.(2)
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18 Sen, Sangita; Tellgren, Erik.
A local tensor that unifies kinetic energy density and vorticity dependent exchange-correlation functionals. CAS Final Meeting; 2018-06-04 - 2018-06-06
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19 Sen, Sangita; Tellgren, Erik.
A local tensor that unifies kinetic energy density and vorticity dependent functionals in DFT. MAGIC 2018; 2018-09-23 - 2018-09-28
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20 Sen, Sangita; Tellgren, Erik.
A local tensor that unifies kinetic energy density and vorticity in density functional theory. Journal of Chemical Physics 2018 ;Volume 149.(14) p. 144109-1-144109-10
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21 Sen, Sangita; Tellgren, Erik.
Excited Molecules in Strong Magnetic Fields. CAS Mid-term Meeting; 2018-01-15 - 2018-01-17
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22 Sen, Sangita; Tellgren, Erik.
Molecules in Strong Magnetic Fields. Energy Materials Nanontechnology (EMN) meeting on Computation and Theory; 2018-09-03 - 2018-09-07
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23 Sen, Sangita; Tellgren, Erik.
Non-perturbative calculation of orbital and spin effects in molecules subject to non-uniform magnetic fields. Journal of Chemical Physics 2018 ;Volume 148.(18)
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24 Tellgren, Erik.
Density-functional theory for internal magnetic fields. Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2018 ;Volume 97.(1) p. 1-17
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25 Tellgren, Erik.
Magnetic fields, convexity and gauge invariance in density functional theory. Oberwolfach workshop; 2018-03-19 - 2018-03-24
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26 Tellgren, Erik.
The Hohenberg-Kohn theorem in a Maxwell-Schrödinger setting. Young Center of Advanced Study (Young CAS); 2018-07-09 - 2018-07-13
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27 Tellgren, Erik.
Universal lower bounds on the kinetic energy of electronic systems with noncollinear magnetism. Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2018 ;Volume 97.(2) p. 022513-1-022513-5
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28 Tellgren, Erik; Laestadius, Andre; Helgaker, Trygve; Kvaal, Simen; Teale, Andrew Michael.
Uniform magnetic fields in density-functional theory. Journal of Chemical Physics 2018 ;Volume 148.(2) p. 1-19
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29 Tellgren, Erik; Lange, Kai Kaarvann; Sagvolden, Espen; Kvaal, Simen; Austad, Jon; Reimann, Sarah; Borgoo, Alex; Fliegl, Heike; Sen, Sangita; Helgaker, Trygve.
Quantum chemistry for strong magnetic fields. Atoms, Molecules, and Materials in Extreme Environments (CAS Meeting); 2018-06-04 - 2018-06-06
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2017
30 Adamowicz, Ludwik; Stanke, Monika; Tellgren, Erik; Helgaker, Trygve.
Explicitly-correlated non-born-oppenheimer calculations of the HD molecule in a strong magnetic field. Chemical Physics Letters 2017 ;Volume 682. p. 87-90
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31 Reimann, Sarah; Borgoo, Alex; Tellgren, Erik; Teale, Andrew Michael; Helgaker, Trygve.
Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection. Journal of Chemical Theory and Computation 2017 ;Volume 13.(9) p. 4089-4100
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32 Sen, Sangita; Tellgren, Erik.
Excited Molecules in Strong Magnetic Fields. Asia-Pacific Conference in Theoretical and Computational Chemistry; 2017-12-15 - 2017-12-17
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33 Tellgren, Erik.
Magnetic fields, convexity and gauge invariance in density functional theory. Energy Materials Nanontechnology (EMN) meeting on Computation and Theory; 2017-11-06 - 2017-11-08
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2015
34 Adamowicz, Ludwik; Tellgren, Erik; Helgaker, Trygve.
Non-Born-Oppenheimer calculations of the HD molecule in a strong magnetic field. Chemical Physics Letters 2015 ;Volume 639. p. 295-299
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35 Furness, James W.; Verbeke, Joachim; Tellgren, Erik; Stopkowicz, Stella; Ekström, Ulf Egil; Helgaker, Trygve; Teale, Andrew Michael.
Current density functional theory using meta-generalized gradient exchange-correlation functionals. Journal of Chemical Theory and Computation 2015 ;Volume 11.(9) p. 4169-4181
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36 Stopkowicz, Stella; Gauss, Jürgen; Lange, Kai Kaarvann; Tellgren, Erik; Helgaker, Trygve.
Coupled-cluster theory for atoms and molecules in strong magnetic fields. Journal of Chemical Physics 2015 ;Volume 143:074110.(7)
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37 Tellgren, Erik; Teale, Andrew Michael; Ekström, Ulf Egil; Kvaal, Simen; Sagvolden, Espen; Helgaker, Trygve.
Current density functional theory for molecular systems in strong magnetic fields. Fundamental Aspects of DFT; 2015-01-08 - 2015-01-10
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38 Trøyflat, Jostein.
Efficient methods for self-consistent field calculation of molecules in finite magnetic fields. Kjemisk Institutt: Universitetet i Oslo 2015 44 p.
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2014
39 Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonja; Dahle, Pål; Dalskov, Erik K.; Ekström, Ulf Egil; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hattig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenæs, Eirik; Høst, Stine; Høyvik, Ida Marie; Iozzi, Maria Francesca; Jansik, Brannislav; Jensen, Hans-Jørgen Aa.; Jonsson, Dan Johan; Jørgensen, Poul; Kauczor, Johanna; Kirpekar, Sheela; Kjærgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnæs, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf Heilemann; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jogvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas Bondo; Provasi, Patricio F.; Reine, Simen Sommerfelt; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Salek, Pawel; Samson, Claire C. M.; Sanchez de Meras, Alfredo; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn Hykkerud; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik; Tew, David P.; Thorvaldsen, Andreas J.; Thøgersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Ågren, Hans.
The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science 2014 ;Volume 4.(3) p. 269-284
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40 Helgaker, Trygve; Borgoo, Alex; Ekström, Ulf Egil; Furness, James; Hoffmann, Mark; Kvaal, Simen; Lange, Kai Kaarvann; Reimann, Sarah; Sagvolden, Espen; Stopkowicz, Stella; Tellgren, Erik; Teale, Andrew Michael.
Density-Functional Theory in Magnetic Fields. Workshop on Magnetically Induced Currents in Molecules; 2014-11-17 - 2014-11-21
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41 Helgaker, Trygve; Hoffmann, Mark; Lange, Kai Kaarvann; Soncini, Alessandro; Tellgren, Erik.
Molecules in Strong Magnetic Fields. Besøk ved CINVESTAV, Mexico City; 2014-10-14 - 2014-10-14
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42 Sagvolden, Espen; Tellgren, Erik; Ekström, Ulf Egil; Helgaker, Trygve.
Cusp based DFT functionals. Det 20. Landsmøte i kjemi; 2014-10-29 - 2014-10-30
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43 Teale, Andrew Michael; Furness, James; Tellgren, Erik; Ekström, Ulf Egil; Helgaker, Trygve.
Density Functional Theory for Molecules in Magnetic Fields. Seminar, Chemistry Department, Cambridge, UK; 2014-11-12 - 2014-11-12
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44 Tellgren, Erik; Kvaal, Simen; Helgaker, Trygve.
Fermion N -representability for prescribed density and paramagnetic current density. Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2014 ;Volume 89.(1)
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45 Tellgren, Erik; Teale, Andrew Michael; Furness, J.W.; Lange, Kai Kaarvann; Ekström, Ulf Egil; Helgaker, Trygve.
Non-perturbative calculation of molecular magnetic properties within current-density functional theory. Journal of Chemical Physics 2014 ;Volume 140.(3)
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2013
46 Sagvolden, Espen; Tellgren, Erik; Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael; Helgaker, Trygve.
Building blocks of Current Density Functional Theory. VALCA; 2013-06-09 - 2013-06-12
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47 Ekström, Ulf Egil; Kvaal, Simen; Borgoo, Alex; Helgaker, Trygve; Sagvolden, Espen; Tellgren, Erik.
Moreau-Yosida regularization of DFT. DFT2013; 2013-09-09 - 2013-09-13
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48 Kvaal, Simen; Ekström, Ulf Egil; Tellgren, Erik; Borgoo, Alex; Helgaker, Trygve; Sagvolden, Espen.
Moreau-Yosida regularization of DFT. VALCA2013; 2013-06-09 - 2013-06-12
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49 Sagvolden, Espen; Ekström, Ulf Egil; Tellgren, Erik.
Isoorbital indicators for current density functional theory. Molecular Physics 2013 ;Volume 111.(9-11) p. 1295-1302
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50 Sagvolden, Espen; Tellgren, Erik; Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael; Helgaker, Trygve.
Building blocks of Current Density Functional Theory. 15th International Conference on Density Functional Theory and its Applications; 2013-09-09 - 2013-09-13
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