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2024
1 Laestadius, Andre.
The use of Moreau-Yosida regularization in density-functional theory. Workshop: Many-body electronic structure calculations for solids; 2024-03-11 - 2024-03-13
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2 Laestadius, Andre; Csirik, Mihaly Andras; Penz, Markus; Tancogne-Dejean, Nicolas; Ruggenthaler, Michael; Rubio, Angel; Helgaker, Trygve.
Exchange-only virial relation from the adiabatic connection. Journal of Chemical Physics 2024
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3 Tancogne-Dejean, Nicolas; Penz, Markus; Laestadius, Andre; Csirik, Mihaly Andras; Ruggenthaler, Michael; Rubio, Angel.
Exchange energies with forces in density-functional theory. Journal of Chemical Physics 2024 ;Volum 160.(2) s. 024103-
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2023
4 Csirik, Mihaly Andras; Laestadius, Andre.
Coupled-Cluster theory revisited: Part I: Discretization. ESAIM: Mathematical Modelling and Numerical Analysis (ESAIM: M2AN) 2023 ;Volum 57.(2) s. 645-670
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5 Csirik, Mihaly Andras; Laestadius, Andre.
Coupled-Cluster theory revisited: Part II: Analysis of the single-reference Coupled-Cluster equations. ESAIM: Mathematical Modelling and Numerical Analysis (ESAIM: M2AN) 2023 ;Volum 57.(2) s. 545-583
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6 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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7 Faulstich, Fabian M.; Laestadius, Andre.
Homotopy continuation methods for coupled-cluster theory in quantum chemistry. Molecular Physics 2023 s. 1-10
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8 Laestadius, Andre.
Can we make the exchange energy virial?. TRAINS conference (meeting of Theory and Modelling chapter of the Norwegian Chemical Society); 2023-11-27 - 2023-11-30
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9 Laestadius, Andre.
Coupled-Cluster Theory for ground- and excited eigenstates. Gemini center seminar; 2023-02-01 - 2023-02-01
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10 Laestadius, Andre.
High School Visit to the Quantum Hub. High School Visit to the Quantum Hub; 2023-11-22 - 2023-11-22
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11 Laestadius, Andre.
Homotopies and Coupled-Cluster Theory. CAS workshop Molecular quantum dynamics; 2023-05-23 - 2023-05-26
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12 Laestadius, Andre.
Some Recent Mathematical Advances in Coupled-Cluster Theory. Sanibel Symposium; 2023-02-12 - 2023-02-17
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13 Laestadius, Andre.
The unique-continuation property in density-functional theory. IWOTA; 2023-07-31 - 2023-08-04
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14 Penz, Markus; Csirik, Mihaly Andras; Laestadius, Andre.
Density-potential inversion from Moreau-Yosida regularization. Electronic Structure 2023 ;Volum 5.(1)
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15 Penz, Markus; Tellgren, Erik Ingemar; Csirik, Mihaly Andras; Ruggenthaler, Michael; Laestadius, Andre.
The Structure of Density-Potential Mapping. Part I: Standard Density-Functional Theory. ACS Physical Chemistry Au 2023 ;Volum 3.(4) s. 334-347
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16 Penz, Markus; Tellgren, Erik Ingemar; Csirik, Mihaly Andras; Ruggenthaler, Michael; Laestadius, Andre.
The Structure of the Density-Potential Mapping. Part II: Including Magnetic Fields. ACS Physical Chemistry Au 2023
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2022
17 Csirik, Mihaly Andras; Laestadius, Andre.
Topological Index and Homotopy in Coupled-Cluster theory. Sanibel Symposium; 2022-02-17
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18 Hansen, Audun Skau; Helgaker, Trygve; Laestadius, Andre.
En introduksjon til kvantekjemi / Samarbeid med Talentsenter i realfag. En introduksjon til kvantekjemi / Samarbeid med Talentsenter i realfag; 2022-11-09 - 2022-11-09
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19 Laestadius, Andre.
Density-potential inversion from Moreau-Yosida regularization. Lunch Seminar Aachen; 2022-10-11 - 2022-10-11
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20 Laestadius, Andre.
Density-potential inversion from Moreau-Yosida regularization. CFEL Seminar; 2022-11-01
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21 Laestadius, Andre.
Energy error estimate for coupled-cluster excited states. UC Berkeley Applied Mathematics Seminar; 2022-02-23 - 2022-02-23
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22 Laestadius, Andre; Csirik, Mihály András.
ENERGY ERROR ESTIMATE FOR COUPLED-CLUSTER EXCITED STATES. Sanibel Symposium; 2022-02-13 - 2022-02-18
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23 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
24 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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25 Laestadius, Andre.
Coupled-cluster theory revisited. Chalmers Chemistry Friday Seminar; 2021-11-19
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26 Laestadius, Andre; Penz, Markus; Tellgren, Erik Ingemar.
Revisiting density-functional theory of the total current density. Journal of Physics: Condensed Matter 2021 ;Volum 33.(29) s. 295504-
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2020
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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28 Laestadius, Andre; Benedicks, Michael; Penz, Markus.
Unique continuation for the magnetic Schrodinger equation. International Journal of Quantum Chemistry 2020 ;Volum 120.(8) s. 1-12
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29 Laestadius, Andre; Faulstich, Fabian Maximilian.
One-dimensional Lieb–Oxford bounds. Journal of Chemical Physics 2020 ;Volum 152.(23) s. 234112-
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30 Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael; Lammert, Paul.
Erratum: Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions. Physical Review Letters 2020 ;Volum 125.(24) s. -
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2019
31 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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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.
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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33 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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34 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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35 Laestadius, Andre.
Hohenberg–Kohn-like theorems for current densities. BIRS workshop: Optimal Transport Methods in Density Functional Theory; 2019-01-27 - 2019-02-01
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36 Laestadius, Andre.
Monotonicity in Coupled-Cluster Methods. The 59th Sanibel Symposium; 2019-02-17 - 2019-02-22
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37 Laestadius, Andre; Faulstich, Fabian Maximilian.
The coupled-cluster formalism – a mathematical perspective. Molecular Physics 2019 s. 1-12
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38 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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39 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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40 Penz, Markus; Laestadius, Andre; Tellgren, Erik; Ruggenthaler, Michael.
Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions. Physical Review Letters 2019 ;Volum 123.(3)
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2018
41 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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42 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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43 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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44 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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45 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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46 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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47 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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48 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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49 Laestadius, Andre; Tellgren, Erik.
Density-wave-function mapping in degenerate current-density-functional theory. Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2018 ;Volum 97.(2)
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50 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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