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English
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2023
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1. |
Le, Vanda; Ringholm, Magnus. PyOpenRSP: Analytic Molecular Response Properties for Spectroscopy. International Congress of Quantum Chemistry; 2023-06-26 - 2023-07-01 UiT UiO
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2. |
Le, Vanda; Ringholm, Magnus. PyOpenRSP, the CEO of analytic response properties. Numerical Methods in Quantum Chemistry; 2023-06-05 - 2023-06-08 UiT UiO
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3. |
Le, Vanda; Ringholm, Magnus. PyOpenRSP, the CEO of analytic response properties. TRAINS - Trygve's Adventures in Science; 2023-11-27 - 2023-11-30 UiT UiO
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4. |
Ringholm, Magnus; Norman, Patrick. Liouville-space approximate-state response theory. 17TH INTERNATIONAL CONGRESS OF QUANTUM CHEMISTRY; 2023-06-26 - 2023-07-01 UiT
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5. |
Ringholm, Magnus; Norman, Patrick. Liouville-space approximate-state response theory. TRAINS; 2023-11-27 - 2023-11-30 UiT
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6. |
Soenarjo, A Larasati; Lan, Zhihao; Sazanovich, Igor V.; Chan, Yee San; Ringholm, Magnus; Jha, Ajay; Klug, David R.. The Transition from Unfolded to Folded G-Quadruplex DNA Analyzed and Interpreted by Two-Dimensional Infrared Spectroscopy. Journal of the American Chemical Society 2023 ;Volum 145.(36) s. 19622-19632 UiT
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2022
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7. |
Ringholm, Magnus; Norman, Patrick. Approximate-state response theory in Liouville space. WATOC 2020; 2022-07-03 - 2022-07-08 UiT
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8. |
Vester, Jonas; Carrasco-Busturia, David; Ruud, Kenneth; Ringholm, Magnus; Olsen, Jógvan Magnus Haugaard. Benchmarks and Workflow for Fragment-based Polarizable Embedding (PE): Calculations of Harmonic IR and Raman Spectra. WATOC 2020; 2022-07-03 - 2022-07-08 UiT
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2021
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9. |
Dundas, Karen Oda Hjorth; Beerepoot, Maarten; Ringholm, Magnus; Reine, Simen Sommerfelt; Bast, Radovan; List, Nanna Holmgaard; Kongsted, Jacob; Ruud, Kenneth; Olsen, Jógvan Magnus Haugaard. Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model. Journal of Chemical Theory and Computation 2021 ;Volum 17.(6) s. 3599-3617 UiT UiO
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2020
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10. |
Olsen, Jógvan Magnus Haugaard; Reine, Simen Sommerfelt; Vahtras, Olav; Kjellgren, Erik; Reinholdt, Peter; Dundas, Karen O.H; Li, Xin; Cukras, Janusz; Ringholm, Magnus; Hedegård, Erik Donovan; Di Remigio, Roberto; List, Nanna H.; Faber, Rasmus; Tenorio, Bruno Nunes Cabral; Bast, Radovan; Pedersen, Thomas Bondo; Rinkevicius, Zilvinas; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Kongsted, Jacob; Coriani, Sonia; Ruud, Kenneth; Helgaker, Trygve; Jensen, Hans Jørgen Aa.; Norman, Patrick. Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. Journal of Chemical Physics 2020 ;Volum 152.(21) UiT UiO
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11. |
Ruud, Kenneth; Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Reine, Simen Sommerfelt. OpenRSP Version v.1.0.0. Utgitt som åpen-kildekode-programvare på https://github.com/openrsp/openrsp/releases/tag/v1.0.0 2020 UiO UiT
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2019
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12. |
Dundas, Karen Oda Hjorth; Ringholm, Magnus; Ofstad, Benedicte; Cornaton, Yann. SpectroscPy: Python tools for spectroscopy. Self-published 2019 UiO UiT
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13. |
Ringholm, Magnus. Design practices I like. Høstmøte for NKS faggruppe kvantekjemi og modellering; 2019-10-08 - 2019-10-09 UiT
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14. |
Ringholm, Magnus; List, Nanna Holmgaard; Norman, Patrick. Approaches for pulsed external fields: A comparison. Møte i forskningssamarbeidet CoTXS; 2019-01-28 - 2019-01-29 UiT
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15. |
Ringholm, Magnus; List, Nanna Holmgaard; Norman, Patrick. Pulsed external fields and molecular responses. Møte i forskningssamarbeidet CoTXS; 2019-05-27 - 2019-05-28 UiT
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16. |
Rinkevicius, Zilvinas; Li, Xin; Vahtras, Olav; Ahmadzadeh, Karan; Brand, Manuel; Ringholm, Magnus; List, Nanna Holmgaard; Scheurer, Maximilian; Scott, Mikael; Dreuw, Andreas; Norman, Patrick. VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments. Wiley Interdisciplinary Reviews. Computational Molecular Science 2019
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2018
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17. |
Morgan, W. James; Matthews, Devin A; Ringholm, Magnus; Agarwal, Jay; Gong, Justin Z; Ruud, Kenneth; Allen, Wesley A; Stanton, John F.; Schaefer, Henry F.. Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde.. Journal of Chemical Theory and Computation 2018 ;Volum 14.(3) s. 1333-1350 UiT
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18. |
Ringholm, Magnus; Ruud, Kenneth. 2D-IR spectroscopy with Wilson and OpenRSP. Foredrag under faglig besøk ved KTH (Stockholm); 2018-03-27 - 2018-03-27 UiT
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19. |
Ruud, Kenneth; Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Reine, Simen Sommerfelt; Thorvaldsen, Andreas johan. OpenRSP Version v.1.0.0-alpha. Utgitt som åpen-kildekode-programvare på https://github.com/openrsp/openrsp/releases/tag/v1.0.0-alpha 2018 UiT
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2017
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20. |
Anelli, Marco; Ringholm, Magnus; Ruud, Kenneth. Gauge-origin independent calculations of electric-field-induced second-harmonic generation circular intensity difference using London atomic orbitals. Molecular Physics 2017 ;Volum 115.(1-2) s. 241-251 UiT
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21. |
Ringholm, Magnus; Ruud, Kenneth. Simulating vibrational spectroscopic experiments with Wilson. SciX 2017; 2017-10-08 - 2017-10-13 UiT
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22. |
Ringholm, Magnus; Ruud, Kenneth. Simulating vibrational wave-mixing experiments with Wilson. 9th International Conference on ADVANCED VIBRATIONAL SPECTROSCOPY; 2017-06-11 - 2017-06-16 UiT
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2016
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23. |
Cornaton, Yann; Ringholm, Magnus; Louant, Orian; Ruud, Kenneth. Analytic calculations of anharmonic infrared and Raman vibrational spectra. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(5) s. 4201-4215 UiT
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24. |
Cornaton, Yann; Ringholm, Magnus; Ruud, Kenneth. Complete analytic anharmonic hyper-Raman scattering spectra. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(32) s. 22331-22342 UiT
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25. |
Di Remigio, Roberto; Beerepoot, Maarten; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca. Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 19. s. 366-379 UiT
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26. |
Ringholm, Magnus; Bast, Radovan; Friese, Daniel Henrik; Gao, Bin; Jonsson, Dan Johan; Ruud, Kenneth; Thorvaldsen, Andreas johan; Cornaton, Yann; Louant, Orian; Reine, Simen Sommerfelt. Analytic high-order properties with OpenRSP. COST MOLIM WG3 Meeting 2016; 2016-03-21 - 2016-03-22 UiO UiT
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27. |
Ringholm, Magnus; Ruud, Kenneth; Jonsson, Dan Johan. General Vibrational Spectroscopies with Wilson. CMDS 2016; 2016-06-29 - 2016-07-01 UiT
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28. |
Ringholm, Magnus; Ruud, Kenneth; Jonsson, Dan Johan. General Vibrational Spectroscopies with Wilson. Magical Mystery Tour of Electron Correlation; 2016-10-24 - 2016-10-26 UiT
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29. |
Steindal, Arnfinn Hykkerud; Beerepoot, Maarten; Ringholm, Magnus; List, Nanna Holmgaard; Ruud, Kenneth; Kongsted, Jacob; Olsen, Jógvan Magnus Haugaard. Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(40) s. 28339-28352 UiT
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2015
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30. |
Friese, Daniel Henrik; Beerepoot, Maarten; Ringholm, Magnus; Ruud, Kenneth. Open-ended recursive approach for the calculation of multiphoton absorption matrix elements. Journal of Chemical Theory and Computation 2015 ;Volum 11.(3) s. 1129-1144 UiT
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31. |
Friese, Daniel Henrik; Ringholm, Magnus; Gao, Bin; Ruud, Kenneth. Open-Ended Recursive Calculation of Single Residues of Response Functions for Perturbation-Dependent Basis Sets. Journal of Chemical Theory and Computation 2015 ;Volum 11.(10) s. 4814-4824 UiT
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32. |
Friese, Daniel Henrik; Ruud, Kenneth; Ringholm, Magnus. High-order non-linear optical and chiroptical property calculations using an open-ended recursive approach. Symposium for Theoretical Chemistry; 2015-09-20 - 2015-09-24 UiT
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33. |
Ringholm, Magnus. Molekylegenskaper med OpenRSP. Kjemi 2015 UiT
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34. |
Ringholm, Magnus; Jonsson, Dan Johan; Ruud, Kenneth. General vibrational spectroscopies with Wilson. ICAVS 8; 2015-07-12 - 2015-07-17 UiT
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2014
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35. |
Friese, Daniel Henrik; Beerepoot, Maarten; Ringholm, Magnus; Ruud, Kenneth. Multiphoton absorption calculation using an open-ended response theory approach - Going beyond one- and two-photon absorption. Symposium for Theoretical Chemistry 2014; 2014-09-14 - 2014-09-18 UiT
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36. |
Gao, Bin; Ringholm, Magnus; Bast, Radovan; Ruud, Kenneth; Thorvaldsen, Andreas johan; Jaszuński, Michał. Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: The first dipole hyperpolarizability of retinal and related molecules. Journal of Physical Chemistry A 2014 ;Volum 118.(4) s. 748-756 UiT
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37. |
Ofstad, Benedicte. Vibrational motion in molecules. : NTNU, IKJ 2014 101 s. NTNU UiT
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38. |
Ringholm, Magnus; Bast, Radovan; Gao, Bin; Jonsson, Dan Johan; Thorvaldsen, Andreas johan; Ruud, Kenneth. The recursive open-ended response code OpenRSP. STC 2014; 2014-09-14 - 2014-09-18 UiT
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39. |
Ringholm, Magnus; Bast, Radovan; Oggioni, Luca; Ekström, Ulf Egil; Ruud, Kenneth. Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients. Journal of Chemical Physics 2014 ;Volum 141.(13) s. - UiT UiO
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40. |
Ringholm, Magnus; Jonsson, Dan Johan; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas johan; Ekstrøm, Ulf; Helgaker, Trygve; Ruud, Kenneth. Analytic cubic and quartic force fields using density-functional theory. Journal of Chemical Physics 2014 ;Volum 140.(3) UiT UiO
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41. |
Ringholm, Magnus; Jonsson, Dan Johan; Ruud, Kenneth. A general, recursive, and open-ended response code. Journal of Computational Chemistry 2014 ;Volum 35.(8) s. 622-633 UiT
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2013
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42. |
Os, Vibeke; Ringholm, Magnus. Nye muligheter for kjemiske databeregninger. uit.no/nyheter [Internett] 2013-12-11 UiT
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43. |
Ringholm, Magnus; Bast, Radovan; Gao, Bin; Jonsson, Dan Johan; Thorvaldsen, Andreas johan; Ruud, Kenneth. A general, recursive open-ended response code: High-order SCF level properties. VALCA 2013; 2013-06-09 - 2013-06-12 UiT
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44. |
Ringholm, Magnus. Recursive calculation of high-order molecular response properties. : UiT Norges arktiske universitet 2013 (ISBN 978-82-8236-114-9) 172 s. UiT
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2012
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45. |
Mohammed, Abdelsalam; Ågren, Hans; Ringholm, Magnus; Thorvaldsen, Andreas johan; Ruud, Kenneth. Hyper Raman spectra calculated in a time-dependent Hartree-Fock method. Molecular Physics 2012 ;Volum 110.(19-20) s. 2315-2320 UiT
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2009
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46. |
Bast, Radovan; Thorvaldsen, Andreas johan; Ringholm, Magnus; Ruud, Kenneth. Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models. Chemical Physics 2009 ;Volum 356.(1-3) s. 177-186 UiT
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47. |
Coriani, Sonia; Forzato, C; Furlan, Giada; Nitti, P; Pitacco, G; Ringholm, Magnus; Ruud, Kenneth. Synthesis, characterization and assignment of the absolute configuration of 4,4-dimethyl-5-oxo-tetrahydrofuran-3-carboxylic acid and its esters: a combined experimental and theoretical investigation. Tetrahedron: asymmetry 2009 ;Volum 20.(13) s. 1459-1467 UiT UiO
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