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Bilde av Ringholm, Magnus
Bilde av Ringholm, Magnus
Department of Chemistry magnus.ringholm@uit.no

Magnus Ringholm

Research Scientist, Theoretical and computational chemistry, Hylleraas Centre for Quantum Molecular Sciences

  • Karen Oda Hjorth Dundas, Maarten Beerepoot, Magnus Ringholm, Simen Sommerfelt Reine, Radovan Bast, Nanna Holmgaard List et al.:
    Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model
    Journal of Chemical Theory and Computation 2021 ARKIV / DOI
  • Jógvan Magnus Haugaard Olsen, Simen Sommerfelt Reine, Olav Vahtras, Erik Kjellgren, Peter Reinholdt, Karen O.H Dundas et al.:
    Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
    Journal of Chemical Physics 2020 FULLTEKST / ARKIV / DOI
  • Zilvinas Rinkevicius, Xin Li, Olav Vahtras, Karan Ahmadzadeh, Manuel Brand, Magnus Ringholm et al.:
    VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments
    Wiley Interdisciplinary Reviews. Computational Molecular Science 2019 DOI
  • W. James Morgan, Devin A Matthews, Magnus Ringholm, Jay Agarwal, Justin Z Gong, Kenneth Ruud et al.:
    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 ARKIV / DOI
  • Marco Anelli, Magnus Ringholm, Kenneth Ruud :
    Gauge-origin independent calculations of electric-field-induced second-harmonic generation circular intensity difference using London atomic orbitals
    Molecular Physics 2017 ARKIV / DOI
  • Yann Cornaton, Magnus Ringholm, Orian Louant, Kenneth Ruud :
    Analytic calculations of anharmonic infrared and Raman vibrational spectra
    Physical Chemistry, Chemical Physics - PCCP 2016 FULLTEKST / ARKIV / DOI
  • Yann Cornaton, Magnus Ringholm, Kenneth Ruud :
    Complete analytic anharmonic hyper-Raman scattering spectra
    Physical Chemistry, Chemical Physics - PCCP 2016 FULLTEKST / ARKIV / DOI
  • Arnfinn Hykkerud Steindal, Maarten Beerepoot, Magnus Ringholm, Nanna Holmgaard List, Kenneth Ruud, Jacob Kongsted :
    Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems
    Physical Chemistry, Chemical Physics - PCCP 2016 FULLTEKST / DATA / ARKIV / DOI
  • Roberto Di Remigio, Maarten Beerepoot, Yann Cornaton, Magnus Ringholm, Arnfinn Hykkerud Steindal, Kenneth Ruud :
    Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
    Physical Chemistry, Chemical Physics - PCCP 2016 DATA / FULLTEKST / ARKIV / DOI
  • Daniel Henrik Friese, Magnus Ringholm, Bin Gao, Kenneth Ruud :
    Open-Ended Recursive Calculation of Single Residues of Response Functions for Perturbation-Dependent Basis Sets
    Journal of Chemical Theory and Computation 2015 ARKIV / DOI
  • Daniel Henrik Friese, Maarten Beerepoot, Magnus Ringholm, Kenneth Ruud :
    Open-ended recursive approach for the calculation of multiphoton absorption matrix elements
    Journal of Chemical Theory and Computation 2015 ARKIV / DOI
  • Bin Gao, Magnus Ringholm, Radovan Bast, Kenneth Ruud, Andreas johan Thorvaldsen, Michał Jaszuński :
    Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: The first dipole hyperpolarizability of retinal and related molecules
    Journal of Physical Chemistry A 2014 ARKIV / DOI
  • Magnus Ringholm, Dan Johan Jonsson, Radovan Bast, Bin Gao, Andreas johan Thorvaldsen, Ulf Ekstrøm et al.:
    Analytic cubic and quartic force fields using density-functional theory
    Journal of Chemical Physics 2014 ARKIV / DOI
  • Magnus Ringholm, Radovan Bast, Luca Oggioni, Ulf Egil Ekström, Kenneth Ruud :
    Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients
    Journal of Chemical Physics 2014 ARKIV / DOI
  • Magnus Ringholm, Dan Johan Jonsson, Kenneth Ruud :
    A general, recursive, and open-ended response code
    Journal of Computational Chemistry 2014 DOI
  • Abdelsalam Mohammed, Hans Ågren, Magnus Ringholm, Andreas johan Thorvaldsen, Kenneth Ruud :
    Hyper Raman spectra calculated in a time-dependent Hartree-Fock method
    Molecular Physics 2012 DOI
  • Radovan Bast, Andreas johan Thorvaldsen, Magnus Ringholm, Kenneth Ruud :
    Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models
    Chemical Physics 2009 DOI
  • Sonia Coriani, C Forzato, Giada Furlan, P Nitti, G Pitacco, Magnus Ringholm :
    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 DOI
  • Magnus Ringholm, Patrick Norman :
    Approximate-state response theory in Liouville space
    2022
  • Jonas Vester, David Carrasco-Busturia, Kenneth Ruud, Magnus Ringholm, Jógvan Magnus Haugaard Olsen :
    Benchmarks and Workflow for Fragment-based Polarizable Embedding (PE): Calculations of Harmonic IR and Raman Spectra
    2022
  • Kenneth Ruud, Magnus Ringholm, Radovan Bast, Daniel Henrik Friese, Bin Gao, Dan Johan Jonsson :
    OpenRSP Version v.1.0.0
    2020 DATA
  • Magnus Ringholm :
    Design practices I like
    2019
  • Karen Oda Hjorth Dundas, Magnus Ringholm, Benedicte Ofstad, Yann Cornaton :
    SpectroscPy: Python tools for spectroscopy
    2019 DATA
  • Magnus Ringholm, Nanna Holmgaard List, Patrick Norman :
    Pulsed external fields and molecular responses
    2019
  • Magnus Ringholm, Nanna Holmgaard List, Patrick Norman :
    Approaches for pulsed external fields: A comparison
    2019
  • Magnus Ringholm, Kenneth Ruud :
    2D-IR spectroscopy with Wilson and OpenRSP
    2018
  • Kenneth Ruud, Magnus Ringholm, Radovan Bast, Daniel Henrik Friese, Bin Gao, Dan Johan Jonsson et al.:
    OpenRSP Version v.1.0.0-alpha
    2018 DATA
  • Magnus Ringholm, Kenneth Ruud :
    Simulating vibrational wave-mixing experiments with Wilson
    2017
  • Magnus Ringholm, Kenneth Ruud :
    Simulating vibrational spectroscopic experiments with Wilson
    2017
  • Magnus Ringholm, Kenneth Ruud, Dan Johan Jonsson :
    General Vibrational Spectroscopies with Wilson
    2016
  • Magnus Ringholm, Radovan Bast, Daniel Henrik Friese, Bin Gao, Dan Johan Jonsson, Kenneth Ruud et al.:
    Analytic high-order properties with OpenRSP
    2016
  • Magnus Ringholm, Kenneth Ruud, Dan Johan Jonsson :
    General Vibrational Spectroscopies with Wilson
    2016
  • Daniel Henrik Friese, Kenneth Ruud, Magnus Ringholm :
    High-order non-linear optical and chiroptical property calculations using an open-ended recursive approach
    2015
  • Magnus Ringholm :
    Molekylegenskaper med OpenRSP
    Kjemi 2015
  • Magnus Ringholm, Dan Johan Jonsson, Kenneth Ruud :
    General vibrational spectroscopies with Wilson
    2015
  • Benedicte Ofstad, Per-Olof Åstrand, Magnus Ringholm, Kenneth Ruud :
    Vibrational motion in molecules
    2014
  • Magnus Ringholm, Radovan Bast, Bin Gao, Dan Johan Jonsson, Andreas johan Thorvaldsen, Kenneth Ruud :
    The recursive open-ended response code OpenRSP
    2014
  • Daniel Henrik Friese, Maarten Beerepoot, Magnus Ringholm, Kenneth Ruud :
    Multiphoton absorption calculation using an open-ended response theory approach - Going beyond one- and two-photon absorption
    2014
  • Magnus Ringholm, Radovan Bast, Bin Gao, Dan Johan Jonsson, Andreas johan Thorvaldsen, Kenneth Ruud :
    A general, recursive open-ended response code: High-order SCF level properties
    2013
  • Vibeke Os, Magnus Ringholm :
    Nye muligheter for kjemiske databeregninger
    11. December 2013 FULLTEKST
  • Magnus Ringholm, Kenneth Ruud :
    Recursive calculation of high-order molecular response properties
    UiT Norges arktiske universitet 2013

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