Jonas Vester,
David Carrasco-Busturia,
Kenneth Ruud,
Magnus Ringholm,
Jogvan Magnus Haugaard Olsen
:
Workflow for Harmonic IR and Raman Spectra of Embedded Systems: The PE-QM Approach
Journal of Physical Chemistry A 18. July 2025
DOI /
ARKIV
Magnus Ringholm,
Patrick Norman
:
Liouville-space response theory in the self-consistent field approximation
Journal of Chemical Physics 2025
DOI /
ARKIV
Bin Gao,
Magnus Ringholm
:
Unified Framework for Molecular Response Functions of Different Electronic-Structure Models
Journal of Physical Chemistry A 2025
DOI /
ARKIV
A Larasati Soenarjo,
Zhihao Lan,
Igor V. Sazanovich,
Yee San Chan,
Magnus Ringholm,
Ajay Jha
et al.:
The Transition from Unfolded to Folded G-Quadruplex DNA Analyzed and Interpreted by Two-Dimensional Infrared Spectroscopy
Journal of the American Chemical Society 2023
DOI /
ARKIV
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
DOI /
ARKIV /
ARKIV
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
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 /
ARKIV
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
DOI /
ARKIV
Marco Anelli,
Magnus Ringholm,
Kenneth Ruud
:
Gauge-origin independent calculations of electric-field-induced second-harmonic generation circular intensity difference using London atomic orbitals
Arnfinn Hykkerud Steindal,
Maarten Beerepoot,
Magnus Ringholm,
Nanna Holmgaard List,
Kenneth Ruud,
Jacob Kongsted
et al.:
Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems
Yann Cornaton,
Magnus Ringholm,
Kenneth Ruud
:
Complete analytic anharmonic hyper-Raman scattering spectra
Roberto Di Remigio,
Maarten Beerepoot,
Yann Cornaton,
Magnus Ringholm,
Arnfinn Hykkerud Steindal,
Kenneth Ruud
et al.:
Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
Yann Cornaton,
Magnus Ringholm,
Orian Louant,
Kenneth Ruud
:
Analytic calculations of anharmonic infrared and Raman vibrational spectra
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
DOI /
ARKIV
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
DOI /
ARKIV
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
DOI /
ARKIV
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
DOI /
ARKIV
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
Magnus Ringholm,
Dan Johan Jonsson,
Kenneth Ruud
:
A general, recursive, and open-ended response code
Journal of Computational Chemistry 2014
DOI /
ARKIV
Abdelsalam Mohammed,
Hans Ågren,
Magnus Ringholm,
Andreas johan Thorvaldsen,
Kenneth Ruud
:
Hyper Raman spectra calculated in a time-dependent Hartree-Fock method
Bin Gao,
Magnus Ringholm
:
Rusted, Tinned SymResponse
Vanda Le,
Magnus Ringholm
:
Benchmarking of quantum-chemical simulation of 2D-IR spectroscopy
Magnus Ringholm,
Patrick Norman
:
Second-quantization Liouville-space response theory for H0 non-eigenstates
Magnus Ringholm,
Patrick Norman
:
Liouville-space approximate-state response theory
Vanda Le,
Magnus Ringholm
:
Benchmarking of quantum-chemical simulation of 2D-IR spectroscopy
Magnus Ringholm,
Patrick Norman
:
Liouville-space approximate-state response theory
Magnus Ringholm,
Patrick Norman
:
Liouville-space approximate-state response theory
Vanda Le,
Magnus Ringholm
:
PyOpenRSP: Analytic Molecular Response Properties for Spectroscopy
Vanda Le,
Magnus Ringholm
:
PyOpenRSP, the CEO of analytic response properties
Vanda Le,
Magnus Ringholm
:
PyOpenRSP, the CEO of analytic response properties
Magnus Ringholm,
Patrick Norman
:
Approximate-state response theory in Liouville space
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
Magnus Ringholm
:
Design practices I like
Magnus Ringholm,
Nanna Holmgaard List,
Patrick Norman
:
Approaches for pulsed external fields: A comparison
Magnus Ringholm,
Nanna Holmgaard List,
Patrick Norman
:
Pulsed external fields and molecular responses
Magnus Ringholm,
Kenneth Ruud
:
2D-IR spectroscopy with Wilson and OpenRSP
Magnus Ringholm,
Kenneth Ruud
:
Simulating vibrational wave-mixing experiments with Wilson
Magnus Ringholm,
Kenneth Ruud
:
Simulating vibrational spectroscopic experiments with Wilson
Magnus Ringholm,
Kenneth Ruud,
Dan Johan Jonsson
:
General Vibrational Spectroscopies with Wilson
Magnus Ringholm,
Radovan Bast,
Daniel Henrik Friese,
Bin Gao,
Dan Johan Jonsson,
Kenneth Ruud
et al.:
Analytic high-order properties with OpenRSP
Magnus Ringholm,
Kenneth Ruud,
Dan Johan Jonsson
:
General Vibrational Spectroscopies with Wilson
Magnus Ringholm
:
Molekylegenskaper med OpenRSP
Daniel Henrik Friese,
Kenneth Ruud,
Magnus Ringholm
:
High-order non-linear optical and chiroptical property calculations using an open-ended recursive approach
Magnus Ringholm,
Dan Johan Jonsson,
Kenneth Ruud
:
General vibrational spectroscopies with Wilson
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
Benedicte Ofstad,
Per-Olof Åstrand,
Magnus Ringholm,
Kenneth Ruud
:
Vibrational motion in molecules
Norges teknisk-naturvitenskapelige universitet 2014
ARKIV
Magnus Ringholm,
Radovan Bast,
Bin Gao,
Dan Johan Jonsson,
Andreas johan Thorvaldsen,
Kenneth Ruud
:
The recursive open-ended response code OpenRSP
Magnus Ringholm,
Kenneth Ruud
:
Recursive calculation of high-order molecular response properties
UiT Norges arktiske universitet 06. December 2013
ARKIV
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
Vibeke Os,
Magnus Ringholm
:
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