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2024
1 Aurbakken, Einar; Ofstad, Benedicte; Kristiansen, Håkon Emil; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Sørensen, Lasse Kragh; Lindh, Roland; Pedersen, Thomas Bondo.
Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions. Physical Review A (PRA) 2024 ;Volum 109.(1)
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2 Lang, Lucas; Musseli Cezar, Henrique; Adamowicz, Ludwik; Pedersen, Thomas Bondo.
Quantum Definition of Molecular Structure. Journal of the American Chemical Society 2024 ;Volum 146.(3) s. 1760-1764
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3 Pedersen, Thomas Bondo.
Fully Coupled Electronic-Nuclear Quantum Dynamcis. The Path of Quantum Chemistry into the 21st Century; 2024-01-16 - 2024-01-18
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4 Pedersen, Thomas Bondo; Lehtola, Susi; Galván, Ignacio Fdez.; Lindh, Roland.
The versatility of the Cholesky decomposition in electronic structure theory. Wiley Interdisciplinary Reviews. Computational Molecular Science 2024 ;Volum 14.(1)
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2023
5 Faulstich, Fabian M.; Kristiansen, Håkon Emil; Csirik, Mihaly Andras; Kvaal, Simen; Pedersen, Thomas Bondo; Laestadius, Andre.
The S-diagnostic - an a posteriori error assessment for single-reference coupled-cluster methods. Journal of Physical Chemistry A 2023 ;Volum 127.(43) s. 9106-9120
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6 Hauge, Eirill Strand; Kristiansen, Håkon Emil; Konecny, Lukas; Kadek, Marius; Repisky, Michal; Pedersen, Thomas Bondo.
Cost-Efficient High-Resolution Linear Absorption Spectra Through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory. Journal of Chemical Theory and Computation 2023 ;Volum 19.(21) s. 7764-7775
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7 Kneiding, Hannes; Lukin, Ruslan; Lang, Lucas; Reine, Simen; Pedersen, Thomas Bondo; De Bin, Riccardo; Balcells, David.
Deep learning metal complex properties with natural quantum graphs. Digital Discovery 2023 ;Volum 2.(3) s. 618-633
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8 Ofstad, Benedicte; Aurbakken, Einar; Schøyen, Øyvind Sigmundson; Kristiansen, Håkon Emil; Kvaal, Simen; Pedersen, Thomas Bondo.
Time-dependent coupled-cluster theory. Wiley Interdisciplinary Reviews. Computational Molecular Science 2023 ;Volum 13.(5) s. -
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9 Ofstad, Benedicte; Kristiansen, Håkon Emil; Aurbakken, Einar; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Pedersen, Thomas Bondo.
Adiabatic extraction of nonlinear optical properties from real-time time-dependent electronic-structure theory. Journal of Chemical Physics 2023 ;Volum 158.(15)
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10 Ofstad, Benedicte; Wibowo-Teale, Meilani; Kristiansen, Håkon Emil; Aurbakken, Einar; Kitsaras, Marios-Petros; Schøyen, Øyvind Sigmundson; Hauge, Eirill Strand; Irons, Tom J. P.; Kvaal, Simen; Stopkowicz, Stella; Teale, Andrew Michael; Pedersen, Thomas Bondo.
Magnetic optical rotation from real-time simulations in finite magnetic fields. Journal of Chemical Physics 2023 ;Volum 159.(20) s. 1-14
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11 Pedersen, Thomas Bondo.
Coupled-cluster theory of electron dynamics. 59th Symposium on Theoretical Chemistry; 2023-09-11 - 2023-09-14
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12 Pedersen, Thomas Bondo.
Grunnforskning for fremtiden. Energi og en verden i forandring; 2023-09-20 - 2023-09-20
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13 Pedersen, Thomas Bondo.
Ny viten og utvikling fra virtuelle eksperimenter. Faglig pedagogisk dag; 2023-11-02 - 2023-11-02
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14 Pedersen, Thomas Bondo.
Recent Developments in Time-Dependent Coupled-Cluster Theory. Numerical Methods in Quantum Chemistry; 2023-06-05 - 2023-06-08
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15 Schrader, Simon Elias; Kristiansen, Håkon Emil; Pedersen, Thomas Bondo; Kvaal, Simen.
Time evolution of the Hydrogen atom in a strong laser field using Rothe's method. TRAINS conference; 2023-11-27 - 2023-11-30
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16 Schrader, Simon Elias; Kristiansen, Håkon Emil; Pedersen, Thomas Bondo; Kvaal, Simen.
Time evolution of the Hydrogen atom in a strong laser field using Rothe's method. MWM Summer School; 2023-08-27 - 2023-09-01
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2022
17 Adamowicz, Ludwik; Kvaal, Simen; Lasser, Caroline; Pedersen, Thomas Bondo.
Laser-induced dynamic alignment of the HD molecule without the Born-Oppenheimer approximation. Journal of Chemical Physics 2022 ;Volum 157.(14) s. -
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18 Kristiansen, Håkon Emil; Ofstad, Benedicte; Hauge, Eirill Strand; Aurbakken, Einar; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Pedersen, Thomas Bondo.
Linear and Nonlinear Optical Properties from TDOMP2 Theory. Journal of Chemical Theory and Computation 2022 ;Volum 18.(6) s. 3687-3702
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19 Kristiansen, Håkon Emil; Ofstad, Benedicte Sverdrup; Hauge, Eirill Strand; Aurbakken, Einar; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Pedersen, Thomas Bondo.
Correction to “Linear and Nonlinear Optical Properties from TDOMP2 Theory”. Journal of Chemical Theory and Computation 2022 ;Volum 18.(9) s. 5755-5757
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20 Kristiansen, Håkon Emil.
Coupled-Cluster Theory for Electron Dynamics. Oslo: Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Oslo 2022 ;Volum 2022.Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2507)
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21 Kvaal, Simen; Pedersen, Thomas Bondo; Lasser, Caroline; Adamowicz, Ludwik.
No need for a grid: Gaussians for the time-dependent Schrödinger equation. Computational Mathematics for Quantum Technologies; 2022-08-01 - 2022-08-05
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22 Kvaal, Simen; Pedersen, Thomas Bondo; Lasser, Caroline; Adamowicz, Ludwik.
Time evolution using linear combinations of gaussians. Advances in N-body Computations; 2022-04-11 - 2022-04-13
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23 Pedersen, Thomas Bondo.
From Electronic Dynamics to Fully Coupled Electronic-Nuclear Dynamics. Operators, Perturbations, Electrons, Relativity, and Multi-Scale Applications; 2022-08-31 - 2022-09-02
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24 Pedersen, Thomas Bondo.
From Electronic Dynamics to Fully Coupled Electronic-Nuclear Dynamics. 10th Triennial Conference on Molecular Quantum Mechanics; 2022-06-26 - 2022-07-01
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2021
25 Pedersen, Thomas Bondo; Kristiansen, Håkon Emil; Bodenstein, Tilmann; Kvaal, Simen; Schøyen, Øyvind Sigmundson.
Interpretation of Coupled-Cluster Many-Electron Dynamics in Terms of Stationary States. Journal of Chemical Theory and Computation 2021 ;Volum 17.(1) s. 388-404
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26 Hansen, Audun Skau; Aurbakken, Einar; Pedersen, Thomas Bondo.
Smooth potential-energy surfaces in fragmentation-based local correlation methods for periodic systems. Molecular Physics 2021 ;Volum 119.(9)
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27 Hansen, Audun Skau.
Local correlation methods for infinite systems. Oslo: Universitetet i Oslo, Det matematisk-naturvitenskapelige fakultet 2021 ;Volum 2021.123 s. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2380)
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28 Hauge, Eirill Strand; Pedersen, Thomas Bondo.
Extrapolating the electric dipole moment of real-time electronic structure calculations. Annual meeting of the Theory and Computational Chemistry chapter of the Norwegian Chemical Society; 2021-11-29 - 2021-11-30
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29 Hauge, Eirill Strand.
Extrapolating the Electric Dipole Moment. Oslo: Universitetet i Oslo, Det matematisk-naturvitenskapelige fakultet 2021 132 s.
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30 Pedersen, Thomas Bondo.
Interpretation of Coupled-Cluster Quantum Dynamics. New Developments in Coupled-Cluster Theory; 2021-07-19 - 2021-07-23
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2020
31 Aquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A.; Chibotaru, Liviu F.; Conti, Irene; de Vico, Luca; Delcey, Michael; Galván, Ignacio Fdez.; Ferré, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D.; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per-Åke; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo; Pedersen, Thomas Bondo; Pedraza-Gonzalez, Laura; Phung, Quan M.; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Martí, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J.; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, Valera.
Modern quantum chemistry with [Open]Molcas. Journal of Chemical Physics 2020 ;Volum 152.(21)
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32 Aurbakken, Einar.
Local Møller-Plesset perturbation theory for periodic systems - a study of long-range interactions and convergence. Oslo: Kjemisk Institutt, Universitetet i Oslo 2020
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33 Hansen, Audun Skau; Baardsen, Gustav; Rebolini, Elisa; Maschio, Lorenzo; Pedersen, Thomas Bondo.
Representation of the virtual space in extended systems – a correlation energy convergence study. Molecular Physics 2020 s. -
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34 Kristiansen, Håkon Emil; Schøyen, Øyvind Sigmundson; Kvaal, Simen; Pedersen, Thomas Bondo.
Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses. Journal of Chemical Physics 2020 ;Volum 152. s. -
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35 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 ;Volum 152.(21)
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36 Pedersen, Thomas Bondo.
Laser-Driven Many-Electron Dynamics with Coupled-Cluster Theory. C4 Workshop; 2020-01-30 - 2020-01-30
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2019
37 Pedersen, Thomas Bondo.
Can Coupled-Cluster Theory Describe Ultrashort, High-Intensity Laser-Driven Electron Dynamics?. Grand Challenges for Theoretical Chemistry; 2019-08-19 - 2019-08-21
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38 Pedersen, Thomas Bondo.
Electron Dynamics in Extreme Laser Pulses: A Challenge to Coupled-Cluster Theory. New Developments in Coupled-Cluster Theory; 2019-07-28 - 2019-08-02
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39 Pedersen, Thomas Bondo; Kvaal, Simen.
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory. Journal of Chemical Physics 2019 ;Volum 150.
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2018
40 Baardsen, Gustav; Rebolini, Elisa; Hansen, Audun Skau; Maschio, Lorenzo; Leikanger, Karl Roald; Pedersen, Thomas Bondo.
The divide-expand-consolidate method for extended systems. Modern Wavefunction Methods in Electronic Structure Theory; 2018-09-30 - 2018-10-05
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41 Hansen, Audun Skau; Baardsen, Gustav; Maschio, Lorenzo; Pedersen, Thomas Bondo.
Locality and sparsity in local correlation calculations. 16TH INTERNATIONAL CONGRESS OF QUANTUM CHEMISTRY; 2018-06-18 - 2018-06-23
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42 Pedersen, Thomas Bondo.
New Directions in Coupled-Cluster Theory. Mathematical Methods in Quantum Chemistry; 2018-03-18 - 2018-03-23
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43 Pedersen, Thomas Bondo; Kvaal, Simen.
Electron Dynamics with Coupled-Cluster Theory. Methods and Algorithms in Quantum Chemistry; 2018-12-13 - 2018-12-15
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44 Pedersen, Thomas Bondo; Kvaal, Simen.
Time-Dependent Coupled-Cluster Theory. Landsmøte i Kjemi; 2018-10-16 - 2018-10-18
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45 Peltzer, Raphael Mathias.
Multi-scale computational modelling of bio-chemical systems in the condensed phase. Oslo: Universitetet i Oslo 2018 ;Volum 2018.Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2058)
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46 Rebolini, Elisa; Baardsen, Gustav; Hansen, Audun Skau; Leikanger, Karl Roald; Pedersen, Thomas Bondo.
Divide-Expand-Consolidate Second-Order Møller-Plesset Theory with Periodic Boundary Conditions. Journal of Chemical Theory and Computation 2018 ;Volum 14.(5) s. 2427-2438
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47 Rebolini, Elisa; Baardsen, Gustav; Hansen, Audun Skau; Leikanger, Karl Roald; Pedersen, Thomas Bondo.
Error-controlled MP2 for periodic molecular systems. 16th International Congress of Quantum Chemistry (ICQC); 2018-06-18 - 2018-06-23
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2017
48 Aquilante, Francesco; Delcey, Mickaël G.; Pedersen, Thomas Bondo; Fdez Galvan, Ignacio; Lindh, Roland.
Inner projection techniques for the low-cost handling of two-electron integrals in quantum chemistry. Molecular Physics 2017 ;Volum 115.(17-18) s. 2052-2064
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49 Pedersen, Thomas Bondo.
Coupled-cluster theory: Quo Vadis?. Department Seminar; 2017-11-09 - 2017-11-09
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50 Pedersen, Thomas Bondo.
Divide-Expand-Consolidate Coupled-Cluster Theory for Extended Systems. CECAM Workshop on Theoretical Chemistry for Extended Systems; 2017-05-22 - 2017-05-24
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