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
Physical review B (PRB) 2024
ARKIV /
DOI
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
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?
Physical Chemistry, Chemical Physics - PCCP 2023
ARKIV /
DOI
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
Physical Chemistry, Chemical Physics - PCCP 2023
ARKIV /
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
Journal of Physical Chemistry A 2023
ARKIV /
DOI
Katarzyna Jakubowska,
Magdalena Pecul,
Kenneth Ruud
:
Vibrational Corrections to NMR Spin-Spin Coupling Constants from Relativistic Four-Component DFT Calculations
Journal of Physical Chemistry A 2022
ARKIV /
DOI
Pijush Karak,
Kenneth Ruud,
Swapan Chakrabarti
:
Spin-vibronic interaction induced reverse intersystem crossing: A case study with TXO-TPA and TXO-PhCz molecules
Journal of Chemical Physics 2022
ARKIV /
DOI
Karolina Solheimslid Eikås,
Maarten Beerepoot,
Kenneth Ruud
:
A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic Oligopeptides
Journal of Physical Chemistry A 2022
ARKIV /
DOI
Pijush Karak,
Kenneth Ruud,
Swapan Chakrabarti
:
Demystifying the Origin of Vibrational Coherence Transfer Between the S1 and T1 States of the Pt-pop Complex
The Journal of Physical Chemistry Letters 2021
ARKIV /
DOI
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
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
Journal of Physical Chemistry A 2021
ARKIV /
DOI
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
Physical Chemistry, Chemical Physics - PCCP 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
Insight into the electronic structure of inorganic compounds from relativistic electronic structure calculations
2024
Theoretical Relativistic All-electron Investigations of NQCCs in Solids in multiple dimensions
2023
Material properties from all-electron four-component relativistic DFT calculations
2023
Klima- og sikkerhetspolitikk i en ny geopolitisk verden
2023
Introduction to Relativistic Effects and the Chemistry of Heavy Elements
Lise Øvreås,
Terje Lohndal,
Kenneth Ruud,
Gunn Elisabeth Birkelund
:
Forskningsrådet må ikke svekkes
Aftenposten (morgenutg. : trykt utg.) 13. Jun 2022
FULLTEKST
Bruk av scenarioer
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.
Defence research in times of war: Prospects and challenges
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
Lederliv
06. May 2022
Finnes det en permanent løsning på midlertidighetens gordiske knute?
X-ray spectroscopy from 2- and 4-component relativistic damped linear response theory
2022
Recent advances in relativistic all-electron Dirac-Kohn-Sham calculations of solids using Gaussian-type orbitals
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
Open Science: New requirements and new opportunities
2022
FFIs klima og sikkerhetskonferanse
2022
Eksportkontroll og internasjonalt samarbeid - Ser det annerledes ut fra "innsiden" enn fra "utsiden"
2022
Sikkerhetshensyn i forskning - Et militærteknologisk perspektiv
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
DORA in practice
Relativistic 4c linear damped response TDDFT for valence and X-ray absorption spectroscopy
2021
Kenneth Ruud,
Marte Blikstad-Balas
:
Hvordan bli en vellykket forsker?
Hvordan lykkes som ung forsker på 2020-tallet?
2021
FFI i en ny sikkerhetspolitisk verden
2021
Vi mener dette er akseptabel forskjellsbehandling
Akademisk frihet og åpen publisering
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