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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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2023
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2. |
Davidov, Aleksandar. Improving semiempirical quantum chemistry with graph neural networks. Oslo: Kjemisk Institutt, Universitetet i Oslo 2023 94 s. UiO
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3. |
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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4. |
Kvaal, Simen. Three Lagrangians for the complete-active space coupled-cluster method. Journal of Chemical Physics 2023 ;Volum 158.(24) s. - UiO
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5. |
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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6. |
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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7. |
Ofstad, Benedicte Sverdrup. Time-domain quantum dynamics: Optical properties from time-dependent electronic-structure theory. Oslo: University of Oslo, Faculty of Mathematics and Natural Sciences, Department of Chemistry 2023 ;Volum 2023.Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2689) UiO
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8. |
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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9. |
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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10. |
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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11. |
Schrader, Simon Elias; Kvaal, Simen. Accelerated coupled cluster calculations with Procrustes orbital interpolation. Journal of Chemical Physics 2023 ;Volum 158.(11) UiO
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2022
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12. |
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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13. |
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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14. |
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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15. |
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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16. |
Kvaal, Simen. Tie evolution using linear combinations of gaussians. Advances in N-body computations; 2022-04-11 - 2022-04-13 UiO
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17. |
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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18. |
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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19. |
Teale, Andrew Michael; Helgaker, Trygve; Savin, Andreas; Adamo, Carlo; Aradi, Balint; Arbuznikov, Alexei V.; Ayers, Paul W.; Baerends, Evert Jan; Barone, Vincenzo; Calaminici, Patrizia; Cances, Eric; Carter, Emily A.; Chattaraj, Pratim Kumar; Chermette, Henry; Ciofini, Ilaria; Crawford, T. Daniel; de Proft, Frank; Dobson, John F.; Draxl, Claudia; Frauenheim, Thomas; Fromager, Emmanuel; Fuentealba, Patricio; Gagliardi, Laura; Galli, Giulia; Gao, Jaili; Geerlings, Paul; Gidopoulos, Nikitas I.; Gill, Peter M. W.; Gori-Giorgi, Paola; Görling, Andreas; Gould, Tim; Grimme, Stefan; Gritsenko, Oleg; Jensen, Hans Jørgen Aagaard; Johnson, Erin R.; Jones, Robert O.; Kaupp, Martin; Köster, Andreas M.; Kronik, Leeor; Krylov, Anna I.; Kvaal, Simen; Laestadius, Andre; Levy, Mel; Lewin, Mathieu; Liu, Shubin; Loos, Pierre-Francois; Maitra, Neepa T.; Neese, Frank; Perdew, John P.; Pernal, Katarzyna; Pernot, Pascal; Piecuch, Piotr; Rebolini, Elisa; Reining, Lucia; Romaniello, Pina; Ruzsinszky, Adrienn; Salahub, Dennis R.; Scheffler, Matthias; Schwerdtfeger, Peter; Staroverov, Viktor N.; Sun, Jianwei; Tellgren, Erik Ingemar; Tozer, David J.; Trickey, Samuel B.; Ullrich, Carsten A.; Vela, Alberto; Vignale, Giovanni; Wesolowski, Tomasz A.; Xu, Xin; Yang, Weitao. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry, Chemical Physics - PCCP 2022 UiO
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2021
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20. |
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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21. |
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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22. |
Kvaal, Simen; Laestadius, Andre; Tellgren, Erik Ingemar; Helgaker, Trygve. Lower Semicontinuity of the Universal Functional in Paramagnetic Current-Density Functional Theory. The Journal of Physical Chemistry Letters 2021 ;Volum 12.(5) s. 1421-1425 UiO
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2020
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23. |
Bodenstein, Tilmann; Kvaal, Simen. A multireference coupled-cluster method based on the bivariational principle. Warsaw Molecular Electronic Structure virtual conference; 2020-09-01 - 2020-09-04 UiO
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24. |
Bodenstein, Tilmann; Kvaal, Simen. A state-specific multireference coupled-cluster method based on the bivariational principle. Journal of Chemical Physics 2020 ;Volum 153.(2) s. - UiO
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25. |
Bore, Sigbjørn Løland. Advances in the Hybrid Particle-Field Approach: Towards Biological Systems. Oslo: Matematisk Naturvitenskapelig fakultet, Universitetet i Oslo 2020 ;Volum 2020.131 s. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2245) UiO
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26. |
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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27. |
Kvaal, Simen; Laestadius, Andre; Bodenstein, Tilmann. Guaranteed convergence for a class of coupled-cluster methods based on Arponen's extended theory. Molecular Physics 2020 ;Volum 118.(19-20) s. - UiO
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2019
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28. |
Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold; Kvaal, Simen. Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry. SIAM Journal on Numerical Analysis 2019 ;Volum 57.(6) s. 2579-2607 UiO
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29. |
Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor; Antalik, Andrej; Brabec, Jiří; Schneider, Reinhold; Pittner, Jiří; Kvaal, Simen; Legeza, Örs. Mathematical and numerical aspects of the coupled-cluster method tailored by tensor network states. Annual Meeting in Quantum and Computational Chemistry of the Norwegian Chemical Society; 2019-10-08 - 2019-10-09 UiO
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30. |
Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor; Antalik, Andrej; Brabec, Jiří; Schneider, Reinhold; Pittner, Jiří; Kvaal, Simen; Legeza, Örs. Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer. Journal of Chemical Theory and Computation 2019 ;Volum 15.(4) s. 2206-2220 UiO
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31. |
Faulstich, Fabian Maximilian; Máté, Mihály; Laestadius, Andre; Csirik, Mihály András; Veis, Libor; Antalik, Andrej; Brabec, Jiří; Schneider, Reinhold; Pittner, Jiří; Kvaal, Simen; Legeza, Örs. Numerical and theoretical aspects of the DMRG-TCC method exemplified by the nitrogen dimer. The 59th Sanibel Symposium; 2019-02-17 - 2019-02-22 UiO
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32. |
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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33. |
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 ;Volum 15.(7) s. 4003-4020 UiO
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34. |
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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35. |
Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold; Kvaal, Simen. Mathematical analysis of the coupled-cluster method tailored by tensor-network states. The 58th Sanibel Symposium; 2018-02-18 - 2018-02-23 UiO
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36. |
Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold; Kvaal, Simen. Quadratic error bounds for the coupled-cluster method tailored by tensor-network states. MFO workshop Mathematical Methods in Quantum Chemistry; 2018-03-18 - 2018-03-24 UiO
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37. |
Laestadius, Andre; Faulstich, Fabian Maximilian; Kvaal, Simen; Legeza, Örs; Schneider, Reinhold. Analysis of The Coupled-Cluster Method Tailored by Tensor-Network States in Quantum Chemistry. The 15th ETSF Young Researchers’ Meeting 2018; 2018-06-04 - 2018-06-08 UiO
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38. |
Laestadius, Andre; Faulstich, Fabian Maximilian; Kvaal, Simen; Legeza, Örs; Schneider, Reinhold. The Study of Coupled-Cluster Methods Using Strong Monotonicity. NKS meeting; 2018-10-16 - 2018-10-18 UiO
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39. |
Laestadius, Andre; Kvaal, Simen. Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry. SIAM Journal on Numerical Analysis 2018 ;Volum 56.(2) s. 660-683 UiO
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40. |
Laestadius, Andre; Kvaal, Simen. ANALYSIS OF THE EXTENDED COUPLED-CLUSTER METHOD IN QUANTUM CHEMISTRY. 58th Sanibel Symposium; 2018-02-18 - 2018-02-23 UiO
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41. |
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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42. |
Laestadius, Andre; Penz, Markus; Tellgren, Erik; Ruggenthaler, Michael; Kvaal, Simen; Helgaker, Trygve. Generalized Kohn-Sham iteration on Banach spaces. Journal of Chemical Physics 2018 ;Volum 149.(16) s. 1-9 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. |
Tellgren, Erik; Laestadius, Andre; Helgaker, Trygve; Kvaal, Simen; Teale, Andrew Michael. Uniform magnetic fields in density-functional theory. Journal of Chemical Physics 2018 ;Volum 148.(2) s. 1-19 UiO
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46. |
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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47. |
Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold; Kvaal, Simen. Mathematical aspects of the coupled-cluster method tailored by tensor-network states in quantum chemistry. IWR School Mathematical Methods for Quantum Chemistry; 2017-10-02 - 2017-10-06 UiO
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2016
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48. |
Kvaal, Simen; Laestadius, Andre. The extended coupled-cluster method and its rigorous analysis. Mathematical and numerical analysis of electronic structure models; 2016-07-04 - 2016-07-08 UiO
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49. |
Laestadius, Andre; Kvaal, Simen. Analysis of the Extended Coupled-Cluster Method. 8th Molecular Quantum Mechanics; 2016-06-26 - 2016-07-01 UiO
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2015
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50. |
Kvaal, Simen; Helgaker, Trygve. Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory. Journal of Chemical Physics 2015 ;Volum 143.(18) UiO
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