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Viser treff 1-39 av 39

2021
1 Dundas, Karen Oda Hjorth Minde; Beerepoot, Maarten T. P.; 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 Untitled
 
2020
2 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)
UiO UiT Untitled
 
3 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 Untitled
 
2019
4 Dundas, Karen Oda Hjorth; Ringholm, Magnus; Ofstad, Benedicte; Cornaton, Yann.
SpectroscPy: Python tools for spectroscopy. Self-published 2019
UiO UiT Untitled
 
5 Ringholm, Magnus.
Design practices I like. Høstmøte for NKS faggruppe kvantekjemi og modellering; 2019-10-08 - 2019-10-09
UiT Untitled
 
6 Ringholm, Magnus; List, Nanna Holmgaard; Norman, Patrick.
Approaches for pulsed external fields: A comparison. Møte i forskningssamarbeidet CoTXS; 2019-01-28 - 2019-01-29
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7 Ringholm, Magnus; List, Nanna Holmgaard; Norman, Patrick.
Pulsed external fields and molecular responses. Møte i forskningssamarbeidet CoTXS; 2019-05-27 - 2019-05-28
UiT Untitled
 
8 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
Untitled
 
2018
9 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 Untitled
 
10 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 Untitled
 
11 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 Untitled
 
2017
12 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 Untitled
 
13 Ringholm, Magnus; Ruud, Kenneth.
Simulating vibrational spectroscopic experiments with Wilson. SciX 2017; 2017-10-08 - 2017-10-13
UiT Untitled
 
14 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 Untitled
 
2016
15 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 Untitled
 
16 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 Untitled
 
17 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 Untitled
 
18 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 Untitled
 
19 Ringholm, Magnus; Ruud, Kenneth; Jonsson, Dan Johan.
General Vibrational Spectroscopies with Wilson. CMDS 2016; 2016-06-29 - 2016-07-01
UiT Untitled
 
20 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 Untitled
 
21 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 Untitled
 
2015
22 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
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23 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 Untitled
 
24 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 Untitled
 
25 Ringholm, Magnus.
Molekylegenskaper med OpenRSP. Kjemi 2015
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26 Ringholm, Magnus; Jonsson, Dan Johan; Ruud, Kenneth.
General vibrational spectroscopies with Wilson. ICAVS 8; 2015-07-12 - 2015-07-17
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2014
27 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
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28 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
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29 Ofstad, Benedicte.
Vibrational motion in molecules. : NTNU, IKJ 2014 101 s.
NTNU UiT Untitled
 
30 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
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31 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. -
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32 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)
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33 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 Untitled
 
2013
34 Os, Vibeke; Ringholm, Magnus.
Nye muligheter for kjemiske databeregninger. uit.no/nyheter [Internett] 2013-12-11
UiT Untitled
 
35 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 Untitled
 
36 Ringholm, Magnus.
Recursive calculation of high-order molecular response properties. : UiT Norges arktiske universitet 2013 (ISBN 978-82-8236-114-9) 172 s.
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2012
37 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
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2009
38 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 Untitled
 
39 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
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