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2024
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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) UiO
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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 UiO
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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 UiO
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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) UiO
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2023
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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 UiO OSLOMET
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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 UiO UiT
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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 UiO
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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. - UiO
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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) UiO
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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 UiO
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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 UiO
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12. |
Pedersen, Thomas Bondo. Grunnforskning for fremtiden. Energi og en verden i forandring; 2023-09-20 - 2023-09-20 UiO
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13. |
Pedersen, Thomas Bondo. Ny viten og utvikling fra virtuelle eksperimenter. Faglig pedagogisk dag; 2023-11-02 - 2023-11-02 UiO
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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 UiO
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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 UiO
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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 UiO
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2022
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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. - UiO
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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 UiO
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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 UiO
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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) FFI UiO UiT
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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 UiO
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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 UiO
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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 UiO
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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 UiO
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2021
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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 UiO
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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) UiO
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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) UiO
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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 UiO
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29. |
Hauge, Eirill Strand. Extrapolating the Electric Dipole Moment. Oslo: Universitetet i Oslo, Det matematisk-naturvitenskapelige fakultet 2021 132 s. UiO
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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 UiO
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2020
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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) UiO
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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 UiO
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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. - UiO
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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. - UiO
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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) UiT UiO
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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 UiO
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2019
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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 UiO
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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 UiO
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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. UiO
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2018
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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 UiO
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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 UiO
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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 UiO
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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 UiO
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44. |
Pedersen, Thomas Bondo; Kvaal, Simen. Time-Dependent Coupled-Cluster Theory. Landsmøte i Kjemi; 2018-10-16 - 2018-10-18 UiO
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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) UiO
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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 UiO
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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 UiO
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2017
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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 UiO
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49. |
Pedersen, Thomas Bondo. Coupled-cluster theory: Quo Vadis?. Department Seminar; 2017-11-09 - 2017-11-09 UiO
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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 UiO
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