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Showing results 1-50 of 74
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2021
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Sen, Sangita; Tellgren, Erik. Benchmarking Density Functional Approximations for Diamagnetic and Paramagnetic Molecules in Nonuniform Magnetic Fields. Journal of Chemical Theory and Computation 2021 UiO
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2020
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Adamowicz, Ludwik; Stanke, Monika; Tellgren, Erik; Helgaker, Trygve. A quantum-mechanical non-Born–Oppenheimer model of a molecule in a strong magnetic field. Chemical Physics Letters 2020 ;Volume 761. p. 1-7 UiO
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Austad, Jon; Borgoo, Alex; Tellgren, Erik; Helgaker, Trygve. Bonding in the helium dimer in strong magnetic fields: The role of spin and angular momentum. Physical Chemistry, Chemical Physics - PCCP 2020 ;Volume 22.(41) p. 23502-23521 UiO
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Austad, Jon. Theoretical Investigations of Molecular Electronic Structure in a Magnetic Field. Oslo: Faculty of Mathematics and Natural Sciences, University of Oslo 2020 ;Volume 2020.164 p. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2295) UiO
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Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael; Lammert, Paul. Erratum: Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions. Physical Review Letters 2020 ;Volume 125.(24) p. - UiO
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Tellgren, Erik; Helgaker, Trygve. Strong Magnetic Field-Induced Chemical Bonding. ChemSci 2020 leaders in the field symposium; 2020-12-07 - 2020-12-10 UiO
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2019
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7. |
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 UiO
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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 UiO
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9. |
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) UiO
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10. |
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 UiO
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11. |
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 UiO
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12. |
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 UiO
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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 UiO
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14. |
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 UiO
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2018
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15. |
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 UiO
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16. |
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 UiO
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17. |
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 UiO
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18. |
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 UiO
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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 UiO
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20. |
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 UiO
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21. |
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 UiO
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22. |
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 UiO
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23. |
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) UiO
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24. |
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 UiO
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25. |
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 UiO
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26. |
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 UiO
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27. |
Sen, Sangita; Tellgren, Erik. Excited Molecules in Strong Magnetic Fields. CAS Mid-term Meeting; 2018-01-15 - 2018-01-17 UiO
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28. |
Sen, Sangita; Tellgren, Erik. Molecules in Strong Magnetic Fields. Energy Materials Nanontechnology (EMN) meeting on Computation and Theory; 2018-09-03 - 2018-09-07 UiO
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29. |
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) UiO
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30. |
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 UiO
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31. |
Tellgren, Erik. Magnetic fields, convexity and gauge invariance in density functional theory. Oberwolfach workshop; 2018-03-19 - 2018-03-24 UiO
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32. |
Tellgren, Erik. The Hohenberg-Kohn theorem in a Maxwell-Schrödinger setting. Young Center of Advanced Study (Young CAS); 2018-07-09 - 2018-07-13 UiO
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33. |
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 UiO
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34. |
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 UiO
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35. |
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 UiO
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2017
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36. |
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 UiO
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37. |
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 UiO
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38. |
Sen, Sangita; Tellgren, Erik. Excited Molecules in Strong Magnetic Fields. Asia-Pacific Conference in Theoretical and Computational Chemistry; 2017-12-15 - 2017-12-17 UiO
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39. |
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 UiO
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2015
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40. |
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 UiO
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41. |
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 UiO
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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) UiO
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43. |
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 UiO
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44. |
Trøyflat, Jostein. Efficient methods for self-consistent field calculation of molecules in finite magnetic fields. Kjemisk Institutt: Universitetet i Oslo 2015 44 p. UiO
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2014
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45. |
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 FFI MET NR NTNU UiO UiT
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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 UiO
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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 UiO
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Sagvolden, Espen; Tellgren, Erik; Ekström, Ulf Egil; Helgaker, Trygve. Cusp based DFT functionals. Det 20. Landsmøte i kjemi; 2014-10-29 - 2014-10-30 UiO
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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 UiO
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50. |
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) UiO
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