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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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2023
2 Davidov, Aleksandar.
Improving semiempirical quantum chemistry with graph neural networks. Oslo: Kjemisk Institutt, Universitetet i Oslo 2023 94 s.
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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
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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. -
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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. -
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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)
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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)
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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
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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
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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
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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)
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2022
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. -
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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
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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
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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)
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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
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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
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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
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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
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2021
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
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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)
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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
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2020
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
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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. -
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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)
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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. -
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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. -
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2019
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
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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
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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
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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
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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
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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
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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.
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2018
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
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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
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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
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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
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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
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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
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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
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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
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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 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
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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
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2017
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
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2016
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
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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
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2015
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)
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