Kenneth Ruud
Pijush Karak,
Torsha Moitra,
Ambar Banerjee,
Kenneth Ruud,
Swapan Chakrabarti
:
Accidental triplet harvesting in donor-acceptor dyads with low spin-orbit coupling
Physical Chemistry, Chemical Physics - PCCP 2024 DOI
Marc Joosten,
Michal Repisky,
Marius Kadek,
Pekka Pyykkö,
Kenneth Ruud
:
Electric field gradients at the nuclei from all-electron four-component relativistic density functional theory using Gaussian-type orbitals
Pijush Karak,
Pradipta Manna,
Ambar Banerjee,
Kenneth Ruud,
Swapan Chakrabarti
:
Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet-Triplet Gap System: A Wigner Phase Space Study
The Journal of Physical Chemistry Letters 2024 DOI
Lukas Konecny,
Stanislav Komorovsky,
Jan Vicha,
Kenneth Ruud,
Michal Repisky
:
Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X-ray Absorption Spectra Near L- and M-Edges of Four-Component Quality at Two-Component Cost
Marius Kadek,
Baokai Wang,
Marc Joosten,
Wei-Chi Chiu,
Francois Mairesse,
Michal Repisky
et al.:
Band structures and Z2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals
Karolina Solheimslid Eikås,
Krupová Monika,
Tone Kristoffersen,
Maarten Beerepoot,
Kenneth Ruud
:
Can the absolute configuration of cyclic peptides be determined with vibrational circular dichroism?
Pijush Karak,
Torsha Moitra,
Kenneth Ruud,
Swapan Chakrabarti
:
Photophysics of uracil: an explicit time-dependent generating function-based method combining both nonadiabatic and spin-orbit coupling effects
Katarzyna Jakubowska,
Magdalena Pecul,
Kenneth Ruud
:
Vibrational Corrections to NMR Spin-Spin Coupling Constants from Relativistic Four-Component DFT Calculations
Pijush Karak,
Kenneth Ruud,
Swapan Chakrabarti
:
Spin-vibronic interaction induced reverse intersystem crossing: A case study with TXO-TPA and TXO-PhCz molecules
Karolina Solheimslid Eikås,
Maarten Beerepoot,
Kenneth Ruud
:
A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic Oligopeptides
Pijush Karak,
Kenneth Ruud,
Swapan Chakrabarti
:
Demystifying the Origin of Vibrational Coherence Transfer Between the S1 and T1 States of the Pt-pop Complex
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
Marta Chołuj,
MD Mehboob Alam,
Maarten Beerepoot,
Sebastian P. Sitkiewicz,
Eduard Matito,
Kenneth Ruud
:
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
Katarzyna Jakubowska,
Magdalena Pecul-Kudelska,
Kenneth Ruud
:
Relativistic Four-Component DFT Calculations of Vibrational Frequencies
Lukas Konecny,
Jan Vicha,
Stanislav Komorovsky,
Kenneth Ruud,
Michal Repisky
:
Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory
Torsha Moitra,
Pijush Karak,
Sayantani Chakraborty,
Kenneth Ruud,
Swapan Chakrabarti
:
Behind the scenes of spin-forbidden decay pathways in transition metal complexes
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
2024
2023
2023
2023
Elsevier 2023 DOI
Lise Øvreås,
Terje Lohndal,
Kenneth Ruud,
Gunn Elisabeth Birkelund
:
Forskningsrådet må ikke svekkes
Aftenposten (morgenutg. : trykt utg.) 13. Jun 2022 FULLTEKST
2022
2022
2022
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
Klassekampen 2022
Lukas Konecny,
Stanislav Komorovsky,
Kenneth Ruud,
Michal Repisky
:
Relativistic TDDFT allows prediction and interpretation of XAS spectra near heavy metal L- and M-edges
2022
Monika Krupova,
Karolina Di Remigio Eikås,
Kenneth Ruud
:
Conformational Studies of Cyclic Hexapeptides with Vibrational Circular Dichroism: Experimental and Theoretical Approach
2022
Monika Krupova,
Karolina Di Remigio Eikås,
Johan Mattias Isaksson,
Kenneth Ruud
:
Vibrational Circular Dichroism of Antimicrobial Peptides: What is Their Structure in Solution and in Membranes?
2022
Håkon Emil Kristiansen,
Thomas Bondo Pedersen,
Simen Kvaal,
Kenneth Ruud
:
Coupled-Cluster Theory for Electron Dynamics
Kenneth Ruud,
Ingrid Heggland,
Ingunn Limstrand,
Klas Henning Pettersen,
Gunnar Bøe,
Tanja Storsul
et al.:
Investering i infrastrukturer for FAIR forskningsdata og særlig relevante forvaltningsdata for forskning.
Anbefalinger fra datainfrastrukturutvalget mai 2022.
Norges forskningsråd 2022 FULLTEKST
2022
Michal Repisky,
Lukas Konecny,
Torsha Moitra,
Marius Kadek,
Kenneth Ruud
:
Modern X-ray spectroscopies with atomic mean-field X2C Hamiltonians
2022
Lukas Konecny,
Stanislav Komorovsky,
Kenneth Ruud,
Michal Repisky
:
Relativistic TDDFT allows prediction and interpretation of XAS spectra near heavy metal L- and M-edges
2022
06. May 2022
Khrono.no 23. Mar 2022 FULLTEKST
2022
2022
Hilde Tonne,
Kenneth Ruud,
Jan Magnus Aronsen,
Eli Aamot,
Karianne Melleby,
Mette Halskov Hansen
et al.:
Statsråden omtaler situasjonen som «alvorlig». Realiteten er at det er en oppkonstruert krise.
Aftenposten (morgenutg. : trykt utg.) 19. May 2022 FULLTEKST
2021 FULLTEKST
2021
Kenneth Ruud,
Marte Blikstad-Balas
:
Hvordan bli en vellykket forsker?
28. Nov 2021 FULLTEKST
2021
2021
Khrono.no 25. Feb 2020 FULLTEKST
Khrono.no 01. Apr 2020 FULLTEKST
Marius Kadek,
Marc Joosten,
Michal Repisky,
Kenneth Ruud
:
Four-component Dirac-Kohn-Sham theory for relativistic band structures of periodic systems based on Gaussian-type orbitals
2020
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