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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 ;Volume 109.(1) UiO |
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| 2. | Wozniak, Aleksander P.; Adamowicz, Ludwik; Pedersen, Thomas Bondo; Kvaal, Simen. Gaussians for Electronic and Rovibrational Quantum Dynamics. Journal of Physical Chemistry A 2024 UiO |
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2023
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| 3. | Davidov, Aleksandar. Improving semiempirical quantum chemistry with graph neural networks. Oslo: Kjemisk Institutt, Universitetet i Oslo 2023 94 p. UiO |
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| 4. | 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 ;Volume 127.(43) p. 9106-9120 UiO OSLOMET |
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| 5. | Kvaal, Simen. Three Lagrangians for the complete-active space coupled-cluster method. Journal of Chemical Physics 2023 ;Volume 158.(24) p. - UiO |
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| 6. | 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 ;Volume 13.(5) p. - UiO |
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| 7. | 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 ;Volume 158.(15) UiO |
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| 8. | 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 ;Volume 2023.Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2689) UiO |
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| 9. | 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 ;Volume 159.(20) p. 1-14 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. TRAINS conference; 2023-11-27 - 2023-11-30 UiO |
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| 11. | 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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| 12. | Schrader, Simon Elias; Kvaal, Simen. Accelerated coupled cluster calculations with Procrustes orbital interpolation. Journal of Chemical Physics 2023 ;Volume 158.(11) UiO |
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2022
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| 13. | 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 ;Volume 157.(14) p. - UiO |
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| 14. | 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 ;Volume 18.(6) p. 3687-3702 UiO |
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| 15. | 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 ;Volume 18.(9) p. 5755-5757 UiO |
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| 16. | Kristiansen, Håkon Emil. Coupled-Cluster Theory for Electron Dynamics. Oslo: Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Oslo 2022 ;Volume 2022.Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2507) FFI UiO UiT |
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| 17. | 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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| 18. | 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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| 19. | 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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| 20. | 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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| 21. | 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 ;Volume 17.(1) p. 388-404 UiO |
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| 22. | Hansen, Audun Skau. Local correlation methods for infinite systems. Oslo: Universitetet i Oslo, Det matematisk-naturvitenskapelige fakultet 2021 ;Volume 2021.123 p. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2380) UiO |
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| 23. | 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 ;Volume 12.(5) p. 1421-1425 UiO |
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2020
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| 24. | 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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| 25. | Bodenstein, Tilmann; Kvaal, Simen. A state-specific multireference coupled-cluster method based on the bivariational principle. Journal of Chemical Physics 2020 ;Volume 153.(2) p. - UiO |
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| 26. | Bore, Sigbjørn Løland. Advances in the Hybrid Particle-Field Approach: Towards Biological Systems. Oslo: Matematisk Naturvitenskapelig fakultet, Universitetet i Oslo 2020 ;Volume 2020.131 p. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.(2245) UiO |
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| 27. | 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 ;Volume 152. p. - UiO |
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| 28. | Kvaal, Simen; Laestadius, Andre; Bodenstein, Tilmann. Guaranteed convergence for a class of coupled-cluster methods based on Arponen's extended theory. Molecular Physics 2020 ;Volume 118.(19-20) p. - UiO |
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2019
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| 29. | 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 ;Volume 57.(6) p. 2579-2607 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. 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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| 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. Journal of Chemical Theory and Computation 2019 ;Volume 15.(4) p. 2206-2220 UiO |
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| 32. | 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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| 33. | 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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| 34. | 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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| 35. | Pedersen, Thomas Bondo; Kvaal, Simen. Symplectic integration and physical interpretation of time-dependent coupled-cluster theory. Journal of Chemical Physics 2019 ;Volume 150. UiO |
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2018
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| 36. | 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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| 37. | 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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| 38. | 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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| 39. | 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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| 40. | Laestadius, Andre; Kvaal, Simen. Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry. SIAM Journal on Numerical Analysis 2018 ;Volume 56.(2) p. 660-683 UiO |
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| 41. | 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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| 42. | 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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| 43. | 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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| 44. | 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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| 45. | Pedersen, Thomas Bondo; Kvaal, Simen. Time-Dependent Coupled-Cluster Theory. Landsmøte i Kjemi; 2018-10-16 - 2018-10-18 UiO |
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| 46. | 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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| 47. | 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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| 48. | 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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| 49. | 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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| 50. | 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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