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Showing results 1-50 of 77 << Previous 1 2    Next >>

2021
1 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
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2020
2 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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3 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. -
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4 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. -
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5 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. -
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2019
6 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
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7 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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8 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
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9 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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10 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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11 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
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12 Pedersen, Thomas Bondo; Kvaal, Simen.
Symplectic integration and physical interpretation of time-dependent coupled-cluster theory. Journal of Chemical Physics 2019 ;Volume 150.
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2018
13 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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14 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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15 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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16 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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17 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
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18 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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19 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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20 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
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21 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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22 Pedersen, Thomas Bondo; Kvaal, Simen.
Time-Dependent Coupled-Cluster Theory. Landsmøte i Kjemi; 2018-10-16 - 2018-10-18
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23 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
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24 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
25 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
26 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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27 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
28 Kvaal, Simen; Helgaker, Trygve.
Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory. Journal of Chemical Physics 2015 ;Volume 143.(18)
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29 Tellgren, Erik; Teale, Andrew Michael; Ekström, Ulf Egil; Kvaal, Simen; Sagvolden, Espen; Helgaker, Trygve.
Current density functional theory for molecular systems in strong magnetic fields. Fundamental Aspects of DFT; 2015-01-08 - 2015-01-10
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2014
30 Helgaker, Trygve; Borgoo, Alex; Ekström, Ulf Egil; Furness, James; Hoffmann, Mark; Kvaal, Simen; Lange, Kai Kaarvann; Reimann, Sarah; Sagvolden, Espen; Stopkowicz, Stella; Tellgren, Erik; Teale, Andrew Michael.
Density-Functional Theory in Magnetic Fields. Workshop on Magnetically Induced Currents in Molecules; 2014-11-17 - 2014-11-21
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31 Helgaker, Trygve; Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael.
Differentiable but Exact Formulation of Density-Functional Theory. Current Topics in Theoretical Chemistry (CTTC); 2014-08-25 - 2014-08-29
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32 Helgaker, Trygve; Kvaal, Simen; Ekström, Ulf Egil; Teale, Andy.
Differentiable but Exact Formulation of Density-Functional Theory. 10th Triennial Congress of the World Association of Theoretical and Computational Chemists; 2014-10-05 - 2014-10-09
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33 Helgaker, Trygve; Kvaal, Simen; Teale, Andrew Michael; Ekström, Ulf Egil.
Differentiable but Exact Formulation of Density-Functional Theory. 248th National Meeting & Exposition; 2014-08-10 - 2014-08-14
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34 Helgaker, Trygve; Kvaal, Simen; Teale, Andrew Michael; Ekström, Ulf Egil; Jørgensen, Poul; Olsen, Jeppe.
Differentiable but Exact Formulation of Density-Functional Theory. The Future of Electronic Structure Theory (FUEST 2014); 2014-09-07 - 2014-09-20
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35 Jarlebring, Elias; Kvaal, Simen; Michiels, Wim.
An inverse iteration method for eigenvalue problems with eigenvector nonlinearities. SIAM Journal on Scientific Computing 2014 ;Volume 36.(4) p. A1978-A2001
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36 Kvaal, Simen.
Bivariational approximations & the orbital-adaptive coupled-cluster method. Mathematical and Numerical analysis of electronic structure models; 2014-04-07 - 2014-04-10
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37 Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael; Helgaker, Trygve.
Differentiable but exact formulation of density-functional theory. Journal of Chemical Physics 2014 ;Volume 140.(18)
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38 Tellgren, Erik; Kvaal, Simen; Helgaker, Trygve.
Fermion N -representability for prescribed density and paramagnetic current density. Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2014 ;Volume 89.(1)
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2013
39 Sagvolden, Espen; Tellgren, Erik; Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael; Helgaker, Trygve.
Building blocks of Current Density Functional Theory. VALCA; 2013-06-09 - 2013-06-12
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40 Ekström, Ulf Egil; Kvaal, Simen; Borgoo, Alex; Helgaker, Trygve; Sagvolden, Espen; Tellgren, Erik.
Moreau-Yosida regularization of DFT. DFT2013; 2013-09-09 - 2013-09-13
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41 Kvaal, Simen.
Ab initio dynamics using the coupled cluster method. Advances in time-dependent methods for quantum many-body problems; 2013-10-14 - 2013-10-18
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42 Kvaal, Simen.
Abels Tårn. NRK P2 [Radio] 2013-05-24
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43 Kvaal, Simen.
Variational formulations of the coupled-cluster method in quantum chemistry. Molecular Physics 2013 ;Volume 111.(9-11) p. 1100-1108
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44 Kvaal, Simen; Ekström, Ulf Egil; Tellgren, Erik; Borgoo, Alex; Helgaker, Trygve; Sagvolden, Espen.
Moreau-Yosida regularization of DFT. VALCA2013; 2013-06-09 - 2013-06-12
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45 Sagvolden, Espen; Tellgren, Erik; Kvaal, Simen; Ekström, Ulf Egil; Teale, Andrew Michael; Helgaker, Trygve.
Building blocks of Current Density Functional Theory. 15th International Conference on Density Functional Theory and its Applications; 2013-09-09 - 2013-09-13
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2012
46 Halvorsen, Tore Gunnar; Kvaal, Simen.
Manifestly gauge invariant discretizations of the Schrodinger equation. Physics Letters A 2012 ;Volume 376.(12-13) p. 1107-1114
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47 Kvaal, Simen.
Ab initio quantum dynamics using coupled-cluster. Journal of Chemical Physics 2012 ;Volume 136.(19) p. -
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48 Selstø, Sølve; Kvaal, Simen; Birkeland, Tore; Nepstad, Raymond; Førre, Morten.
Double ionization with absorbers. EurophysicsNews 2012 ;Volume 43.(1) p. 15-16
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49 Tellgren, Erik; Kvaal, Simen; Sagvolden, Espen; Ekström, Ulf Egil; Teale, Andrew Michael; Helgaker, Trygve.
Choice of basic variables in current-density-functional theory. Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2012 ;Volume 86.(6) p. -
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2011
50 Jarlebring, Elias; Kvaal, Simen; Michiels, Wim.
Computing all Pairs (lambda, mu) Such That lambda is a Double Eigenvalue of A + mu B. SIAM Journal on Matrix Analysis and Applications 2011 ;Volume 32. p. 902-927
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