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Showing results 1-50 of 717 << Previous 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15    Next >>

2021
1 Helgaker, Trygve.
The Exotic Chemistry in a Strong Magnetic Field. Highlands in Chemistry Seminar Series; 2021-01-22 - 2021-01-22
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2020
2 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
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3 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
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4 Brandenburg, Jan Gerit; Burke, Kieron; Cancio, Antonio; Erhard, Jannis; Fromager, Emmanuel; Ghosal, Abhisek; Gidopoulos, Nikitas; Gori-Giorgi, Paola; Helgaker, Trygve; Hourahine, Ben; Jacob, Christoph R.; Kooi, Derk; Maitra, Neepa; Mulay, Manasi R.; Pernal, Katarzyna; Pribram-Jones, Aurora; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Skylaris, Chris-Kriton; Teale, Andrew Michael; Tozer, David J.; Truhlar, Donald G.; Yang, Weitao.
New density-functional approximations and beyond: general discussion. Faraday discussions 2020 ;Volume 224. p. 166-200
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5 Brandenburg, Jan Gerit; Burke, Kieron; Civalleri, Bartolomeo; Cole, Daniel J.; Csanyi, Gabor; Gregoire, David; Gidopoulos, Nikitas I.; Gowland, Duncan; Helgaker, Trygve; Herbst, Michael F.; Hourahine, Ben; Irons, Tom J. P.; Jacob, Christoph R.; Loos, Pierre-François; Mehta, Nisha; Mulay, Manasi R.; Neugebauer, Johannes; Pernal, Katarzyna; Pribram-Jones, Aurora; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Skylaris, Chris-Kriton; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao.
Challenges for large scale simulation: general discussion. Faraday discussions 2020 ;Volume 224. p. 309-332
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6 Brandenburg, Jan Gerit; Burke, Kieron; Fromager, Emmanuel; Gatti, Matteo; Giarrusso, Sara; Gidopoulos, Nikitas I.; Gori-Giorgi, Paola; Gowland, Duncan; Helgaker, Trygve; Hodgson, Matthew J. P.; Lacombe, Lionel; Levi, Gianluca; Loos, Pierre-François; Maitra, Neepa T.; Maurina Morais, Eduardo; Mehta, Nisha; Monti, Filippo; Mulay, Manasi R.; Pernal, Katarzyna; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Teale, Andrew Michael; Thom, Alex J. W.; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao.
New approaches to study excited states in density functional theory: general discussion. Faraday discussions 2020 ;Volume 224. p. 483-508
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7 Castro, Abril C; Balcells, David; Repisky, Michal; Helgaker, Trygve; Cascella, Michele.
First-principles calculation of 1H NMR chemical shifts of complex metal polyhydrides: The essential inclusion of relativity and dynamics. Inorganic Chemistry 2020 ;Volume 59.(23) p. 17509-17518
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8 Eriksen, Janus J.; Stopkowicz, Stella; Jagau, Thomas-C.; Helgaker, Trygve.
Foreword: Prof. Gauss Festschrift. Molecular Physics 2020 ;Volume 118.
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9 Fromager, Emmanuel; Gidopoulos, Nikitas I.; Gori-Giorgi, Paola; Helgaker, Trygve; Loos, Pierre-François; Malcomson, Thomas; Pernal, Katarzyna; Savin, Andreas; Truhlar, Donald G.; Wibowo, Meilani; Yang, Weitao.
Strong correlation in density functional theory: general discussion. Faraday discussions 2020 ;Volume 224. p. 373-381
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10 Helgaker, Trygve.
Chemistry in a Strong Magnetic Field. Virtual Winter School on Quantum Chemistry,; 2020-02-17 - 2020-02-20
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11 Helgaker, Trygve.
Hylleraas Centre for Quantum Molecular Sciences – Applying For and Setting Up a Centre of Excellence. Inspirasjonsseminar for SFF V; 2020-03-10 - 2020-03-10
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12 Helgaker, Trygve.
Quantum Chemistry – A Matter of Life and Death. HTH Monday Enrichment Seminar; 2020-08-26 - 2020-10-26
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13 Helgaker, Trygve.
SFF V: Assessment Criteria — Applying For and Setting Up a Centre of Excellence. SFF–V–informasjonsmøte; 2020-01-15 - 2020-01-15
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14 Irons, Tom J P; Spence, Lucy; Speake, Gregoire David; Speake, Benjamin T.; Helgaker, Trygve; Teale, Andrew Michael.
Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory. Journal of Physical Chemistry A 2020 ;Volume 124. p. 1321-1333
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15 Olsen, Jógvan Magnus Haugaard; Reine, Simen Sommerfelt; Vahtras, Olav; Kjellgren, Erik; Reinholdt, Peter; Dundas, Karen O.H; Li, Xin; Cukras, Janusz; Ringholm, Magnus; Hedegård, Erik Donovan; Di Remigio, Roberto; List, Nanna H.; Faber, Rasmus; Tenorio, Bruno Nunes Cabral; Bast, Radovan; Pedersen, Thomas Bondo; Rinkevicius, Zilvinas; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Kongsted, Jacob; Coriani, Sonia; Ruud, Kenneth; Helgaker, Trygve; Jensen, Hans Jørgen Aa.; Norman, Patrick.
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. Journal of Chemical Physics 2020 ;Volume 152.(21)
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16 Pasteka, Lukáลก Félix; Helgaker, Trygve; Saue, Trond; Sundholm, Dage; Werner, Hans-Joachim; Hasanbulli, Mustafa; Major, J; Schwerdtfeger, Peter.
Atoms and molecules in soft confinement potentials. Molecular Physics 2020 p. 1-23
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17 Skjelstad, Bastian.
A Computational Perspective on the Interplay Between Metal Dopant and Support in the Structure and Reactivity of Oxidized Cubanes. Oslo: Kjemisk Institutt, Universitetet i Oslo 2020
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18 Tellgren, Erik; Helgaker, Trygve.
Strong Magnetic Field-Induced Chemical Bonding. ChemSci 2020 leaders in the field symposium; 2020-12-07 - 2020-12-10
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2019
19 Castro, Abril C.; Fliegl, Heike; Cascella, Michele; Helgaker, Trygve; Repisky, Michal; Komorovsky, Stanislav; Medrano, María Ángeles; Quiroga, Adoración G.; Swart, Marcel.
Four-component relativistic 31P NMR calculations for: Trans -platinum(ii) complexes: Importance of the solvent and dynamics in spectral simulations. Dalton Transactions 2019 ;Volume 48.(23) p. 8076-8083
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20 Helgaker, Trygve.
Centre for Data Science and Computational Science. Kick-off Seminar; 2019-09-26 - 2019-09-26
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21 Helgaker, Trygve.
Chemistry in a Strong Magnetic Field. Workshop for Atomistic Modelling at NTNU — NTNU NANO Event; 2019-08-16 - 2019-08-16
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22 Helgaker, Trygve.
Chemistry in a strong magnetic field. CFEL Science Seminar; 2019-01-16 - 2019-01-16
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23 Helgaker, Trygve.
Egil A. Hylleraas - a pioneer of computational quantum mechanics. 10th Triennial Congress of the International Society of Theoretical Chemical Physics; 2019-07-11 - 2019-07-17
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24 Helgaker, Trygve.
Egil A. Hylleraas – en norsk pioner innen kvantemekanikk. Hylleraas-dagen 2019; 2019-09-21 - 2019-09-21
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25 Helgaker, Trygve.
Geometry optimization. European Summer School in Quantum Chemistry 2019 (ESQC-19); 2019-09-08 - 2019-09-21
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26 Helgaker, Trygve.
Hylleraas Centre for Quantum Molecular Sciences. Centre-of-Excellence Site Visit of the Scientific Advisory Committee of the Faculty of Mathematics and Natural Sciences; 2019-11-28 - 2019-11-28
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27 Helgaker, Trygve.
Hylleraas Centre for Quantum Molecular Sciences: Applying for and Setting up a Centre of Excellence. Inspirasjonsseminar SFF V; 2019-10-08 - 2019-10-08
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28 Helgaker, Trygve.
Kvantekjemi — på liv og død. Drømmedag på UiO/MatNat; 2019-11-08 - 2019-11-08
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29 Helgaker, Trygve.
Kvantemekanikk og kjemi. School visit; 2019-02-19 - 2019-02-19
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30 Helgaker, Trygve.
Kvantemekanikk og kjemi. School visit; 2019-03-19 - 2019-03-19
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31 Helgaker, Trygve.
Kvantemekanikk og kjemi. School viist; 2019-03-05 - 2019-03-05
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32 Helgaker, Trygve.
Molecular Magnetic Properties. European Summer School in Quantum Chemistry 2019 (ESQC-19); 2019-09-08 - 2019-09-21
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33 Helgaker, Trygve.
Molecules in magnetic fields. European Summer School in Quantum Chemistry 2019 (ESQC-19); 2019-09-08 - 2019-09-21
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34 Helgaker, Trygve.
Quantum-Chemical Calculations of NMR Parameters. Magnetic Moments in Central Europe (MMCE) 2019; 2019-02-27 - 2019-03-03
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35 Helgaker, Trygve.
Robust All-Electron Optimization of Orbital-Free Density-Functional Theory. Computational Quantum Chemistry: From Promise to Prominence (ACS 258th National Meeting); 2019-08-25 - 2019-08-29
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36 Helgaker, Trygve.
Robust All-Electron Optimization of Orbital-Free Density-Functional Theory. 9th Molecular Quantum Mechanics Conference (MQM2019); 2019-06-30 - 2019-07-05
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37 Helgaker, Trygve.
Robust All-Electron Optimization of Orbital-Free Density-Functional Theory. Grand Challenges for Theoretical Chemistry; 2019-11-19 - 2019-11-21
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38 Helgaker, Trygve.
Robust All-Electron Optimization of Orbital-Free Density-Functional Theory. 2009 Annual Meeting for the Division for Quantum Chemistry and Modelling; 2019-10-08 - 2019-10-09
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39 Helgaker, Trygve.
Time-independent molecular properties. European Summer School in Quantum Chemistry 2019 (ESQC-19); 2019-09-08 - 2019-09-21
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40 Helgaker, Trygve.
Utenomjordisk kjemi. Hylleraas-dagen 2019; 2019-09-21
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41 Helgaker, Trygve.
Utenomjordisk kjemi. Popular Science Talks for New Students; 2019-11-14 - 2019-11-14
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42 Helgaker, Trygve; Isaksen, Karoline Kvellestad.
Kan sjaman Durek Verrett snu atomer? – Vi snur atomkjernene hver dag i vitenskap og medisin, svarer forsker. forskning.no [Newspaper] 2019-05-16
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43 Helgaker, Trygve; Ruud, Kenneth; Røsjø, Bjarne.
Forskerne ved Hylleraas-senteret jakter på kjemiens hellige gral. Titan.uio.no [Newspaper] 2019-11-14
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44 Helgaker, Trygve; Svelle, Stian; Haugnes, Gunhild Merete.
Datakraft gir forskerne bedre intuisjon og flere ideer. Titan.uio.no [Newspaper] 2019-01-29
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45 Holzer, Christof; Teale, Andrew Michael; Hampe, Florian; Stopkowicz, Stella; Helgaker, Trygve; Klopper, Wim.
Erratum: “GW quasiparticle energies of atoms in strong magnetic fields” [J. Chem. Phys. 150, 214112 (2019)]. Journal of Chemical Physics 2019 ;Volume 151.
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46 Holzer, Christof; Teale, Andrew Michael; Hampe, Florian; Stopkowicz, Stella; Helgaker, Trygve; Klopper, Wim.
GW quasiparticle energies of atoms in strong magnetic fields. Journal of Chemical Physics 2019 ;Volume 150.(21) p. 214112-1-214112-9
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47 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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48 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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49 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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50 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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