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Viser treff 1-50 av 53
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2024
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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 OSLOMET
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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 OSLOMET UiO
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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- OSLOMET
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2023
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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 UiO OSLOMET
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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 UiO OSLOMET
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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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7. |
Faulstich, Fabian M.; Laestadius, Andre. Homotopy continuation methods for coupled-cluster theory in quantum chemistry. Molecular Physics 2023 s. 1-10 UiO OSLOMET
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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 OSLOMET
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9. |
Laestadius, Andre. Coupled-Cluster Theory for ground- and excited eigenstates. Gemini center seminar; 2023-02-01 - 2023-02-01 OSLOMET UiO
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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 OSLOMET
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11. |
Laestadius, Andre. Homotopies and Coupled-Cluster Theory. CAS workshop Molecular quantum dynamics; 2023-05-23 - 2023-05-26 OSLOMET
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12. |
Laestadius, Andre. Some Recent Mathematical Advances in Coupled-Cluster Theory. Sanibel Symposium; 2023-02-12 - 2023-02-17 OSLOMET UiO
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13. |
Laestadius, Andre. The unique-continuation property in density-functional theory. IWOTA; 2023-07-31 - 2023-08-04 OSLOMET
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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) UiO OSLOMET
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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 OSLOMET UiO
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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 OSLOMET UiO
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2022
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17. |
Csirik, Mihaly Andras; Laestadius, Andre. Topological Index and Homotopy in Coupled-Cluster theory. Sanibel Symposium; 2022-02-17 UiO
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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 OSLOMET UiO
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19. |
Laestadius, Andre. Density-potential inversion from Moreau-Yosida regularization. Lunch Seminar Aachen; 2022-10-11 - 2022-10-11 UiO OSLOMET
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20. |
Laestadius, Andre. Density-potential inversion from Moreau-Yosida regularization. CFEL Seminar; 2022-11-01 UiO
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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 UiO
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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 UiO
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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 UiO
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2021
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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 UiO
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25. |
Laestadius, Andre. Coupled-cluster theory revisited. Chalmers Chemistry Friday Seminar; 2021-11-19 UiO
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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- UiO
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2020
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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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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 UiO
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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- UiO
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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. - UiO
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2019
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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 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. 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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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 UiO
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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 UiO
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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 UiO
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36. |
Laestadius, Andre. Monotonicity in Coupled-Cluster Methods. The 59th Sanibel Symposium; 2019-02-17 - 2019-02-22 UiO
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37. |
Laestadius, Andre; Faulstich, Fabian Maximilian. The coupled-cluster formalism – a mathematical perspective. Molecular Physics 2019 s. 1-12 UiO
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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 UiO
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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 UiO
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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) UiO
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2018
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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 UiO
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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 UiO
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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 UiO
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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 UiO
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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 UiO
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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 UiO
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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 UiO
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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 UiO
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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) UiO
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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 UiO
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