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Magnus Ringholm - Publications

Affiliations: 
2009-2013 UiT The Arctic University of Norway 
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18 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Dundas KOHM, Beerepoot MTP, Ringholm M, Reine S, Bast R, List NH, Kongsted J, Ruud K, Olsen JMH. Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model. Journal of Chemical Theory and Computation. PMID 34009969 DOI: 10.1021/acs.jctc.0c01323  0.803
2020 Olsen JMH, Reine S, Vahtras O, Kjellgren E, Reinholdt P, Hjorth Dundas KO, Li X, Cukras J, Ringholm M, Hedegård ED, Di Remigio R, List NH, Faber R, Cabral Tenorio BN, Bast R, et al. Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. The Journal of Chemical Physics. 152: 214115. PMID 32505165 DOI: 10.1063/1.5144298  0.747
2019 Rinkevicius Z, Li X, Vahtras O, Ahmadzadeh K, Brand M, Ringholm M, List NH, Scheurer M, Scott M, Dreuw A, Norman P. VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments Wires Computational Molecular Science. 10. DOI: 10.1002/Wcms.1457  0.35
2018 Morgan WJ, Matthews DA, Ringholm M, Agarwal J, Gong JZ, Ruud K, Allen WD, Stanton JF, Schaefer HF. 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. PMID 29474074 DOI: 10.1021/Acs.Jctc.7B01138  0.737
2016 Di Remigio R, Beerepoot MT, Cornaton Y, Ringholm M, Steindal AH, Ruud K, Frediani L. Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation. Physical Chemistry Chemical Physics : Pccp. PMID 27905594 DOI: 10.1039/C6Cp06814F  0.755
2016 Steindal AH, Beerepoot MT, Ringholm M, List NH, Ruud K, Kongsted J, Olsen JM. Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems. Physical Chemistry Chemical Physics : Pccp. 18: 28339-28352. PMID 27722558 DOI: 10.1039/C6Cp05297E  0.786
2016 Cornaton Y, Ringholm M, Ruud K. Complete analytic anharmonic hyper-Raman scattering spectra. Physical Chemistry Chemical Physics : Pccp. 18: 22331-42. PMID 27459194 DOI: 10.1039/C6Cp03463B  0.758
2016 Cornaton Y, Ringholm M, Louant O, Ruud K. Analytic calculations of anharmonic infrared and Raman vibrational spectra. Physical Chemistry Chemical Physics : Pccp. 18: 4201-15. PMID 26784673 DOI: 10.1039/C5Cp06657C  0.755
2016 Anelli M, Ringholm M, Ruud K. Gauge-origin independent calculations of electric-field-induced second-harmonic generation circular intensity difference using London atomic orbitals Molecular Physics. 115: 241-251. DOI: 10.1080/00268976.2016.1249979  0.739
2015 Friese DH, Ringholm M, Gao B, Ruud K. Open-Ended Recursive Calculation of Single Residues of Response Functions for Perturbation-Dependent Basis Sets. Journal of Chemical Theory and Computation. 11: 4814-24. PMID 26574270 DOI: 10.1021/Acs.Jctc.5B00646  0.815
2015 Friese DH, Beerepoot MT, Ringholm M, Ruud K. Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements. Journal of Chemical Theory and Computation. 11: 1129-44. PMID 25821415 DOI: 10.1021/Ct501113Y  0.776
2014 Ringholm M, Jonsson D, Bast R, Gao B, Thorvaldsen AJ, Ekström U, Helgaker T, Ruud K. Analytic cubic and quartic force fields using density-functional theory. The Journal of Chemical Physics. 140: 034103. PMID 25669359 DOI: 10.1063/1.4861003  0.776
2014 Ringholm M, Bast R, Oggioni L, Ekström U, Ruud K. Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients. The Journal of Chemical Physics. 141: 134107. PMID 25296784 DOI: 10.1063/1.4896606  0.829
2014 Ringholm M, Jonsson D, Ruud K. A general, recursive, and open-ended response code. Journal of Computational Chemistry. 35: 622-33. PMID 24500816 DOI: 10.1002/Jcc.23533  0.82
2014 Gao B, Ringholm M, Bast R, Ruud K, Thorvaldsen AJ, Jaszuński M. Analytic density functional theory calculations of pure vibrational hyperpolarizabilities: the first dipole hyperpolarizability of retinal and related molecules. The Journal of Physical Chemistry. A. 118: 748-56. PMID 24405250 DOI: 10.1021/Jp408103Y  0.801
2012 Mohammed A, Ågren H, Ringholm M, Thorvaldsen AJ, Ruud K. Hyper Raman spectra calculated in a time-dependent Hartree–Fock method Molecular Physics. 110: 2315-2320. DOI: 10.1080/00268976.2012.659681  0.785
2009 Coriani S, Forzato C, Furlan G, Nitti P, Pitacco G, Ringholm M, Ruud K. 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. 20: 1459-1467. DOI: 10.1016/J.Tetasy.2009.06.002  0.627
2009 Bast R, Thorvaldsen AJ, Ringholm M, Ruud K. Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models Chemical Physics. 356: 177-186. DOI: 10.1016/J.Chemphys.2008.10.033  0.801
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