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Marius Kadek
Marius Kadek
Hylleraas Centre for Quantum Molecular Sciences, UiT The Arctic University of Norway
Adresse e-mail validée de northeastern.edu - Page d'accueil
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ReSpect: Relativistic spectroscopy DFT program package
M Repisky, S Komorovsky, M Kadek, L Konecny, U Ekström, E Malkin, ...
The Journal of Chemical Physics 152 (18), 2020
972020
Excitation energies from real-time propagation of the four-component Dirac–Kohn–Sham equation
M Repisky, L Konecny, M Kadek, S Komorovsky, OL Malkin, VG Malkin, ...
Journal of chemical theory and computation 11 (3), 980-991, 2015
912015
X-ray absorption resonances near L 2, 3-edges from real-time propagation of the Dirac–Kohn–Sham density matrix
M Kadek, L Konecny, B Gao, M Repisky, K Ruud
Physical Chemistry Chemical Physics 17 (35), 22566-22570, 2015
712015
Acceleration of relativistic electron dynamics by means of X2C transformation: Application to the calculation of nonlinear optical properties
L Konecny, M Kadek, S Komorovsky, OL Malkina, K Ruud, M Repisky
Journal of Chemical Theory and Computation 12 (12), 5823-5833, 2016
562016
All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions
M Kadek, M Repisky, K Ruud
Physical Review B 99 (20), 205103, 2019
312019
Resolution-of-identity accelerated relativistic two-and four-component electron dynamics approach to chiroptical spectroscopies
L Konecny, M Kadek, S Komorovsky, K Ruud, M Repisky
The Journal of Chemical Physics 149 (20), 2018
252018
Electrochemical potential of the metal organic framework MIL-101 (Fe) as cathode material in Li-ion batteries
F Keshavarz, M Kadek, B Barbiellini, A Bansil
Condensed Matter 6 (2), 22, 2021
112021
Relativistic Spectroscopy DFT Program ReSpect
M Repisky, S Komorovsky, VG Malkin, OL Malkina, M Kaupp, K Ruud, ...
Developer Version 5 (0), 2018
112018
Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy
T Moitra, L Konecny, M Kadek, A Rubio, M Repisky
The journal of physical chemistry letters 14 (7), 1714-1724, 2023
82023
Anodic activity of hydrated and anhydrous Iron (II) oxalate in Li-ion batteries
F Keshavarz, M Kadek, B Barbiellini, A Bansil
Condensed Matter 7 (1), 8, 2022
52022
Relativistic Spectroscopy DFT Program ReSpect, Developer Version 4.0. 0; 2017
M Repisky, S Komorovsky, VG Malkin, OL Malkina, M Kaupp, K Ruud, ...
3
Band structures and invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type …
M Kadek, B Wang, M Joosten, WC Chiu, F Mairesse, M Repisky, K Ruud, ...
Physical Review Materials 7 (6), 064001, 2023
12023
Advancing relativistic electronic structure methods for solids and in the time domain
M Kadek
UiT Norges arktiske universitet, 2018
12018
Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory
E Hauge, HE Kristiansen, L Konecny, M Kadek, M Repisky, TB Pedersen
Journal of Chemical Theory and Computation 19 (21), 7764-7775, 2023
2023
Relativistic Real-Time Methods
M Kadek, L Konecny, M Repisky
arXiv preprint arXiv:2307.05242, 2023
2023
First-principles study of Humboldtine as negative battery electrode
B Barbiellini, F Keshavarz, V Gromov, A Noubir, M Kadek, A Bansil, ...
Bulletin of the American Physical Society, 2023
2023
Band structures of 2D transition metal dichalcogenides from fully relativistic Dirac--Kohn--Sham theory using Gaussian-type orbitals
M Kadek, B Wang, M Joosten, WC Chiu, F Mairesse, M Repisky, K Ruud, ...
Bulletin of the American Physical Society, 2023
2023
Band structures and invariants of 2D transition metal dichalcogenide monolayers from fully-relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals
M Kadek, B Wang, M Joosten, WC Chiu, F Mairesse, M Repisky, K Ruud, ...
arXiv preprint arXiv:2302.00041, 2023
2023
Relativistic real-time time dependent density functional theory for valence and core level attosecond transient absorption spectroscopy
T Moitra, L Konecny, M Kadek, A Rubio, M Repisky, N Team
APS March Meeting Abstracts 2023, Y17. 005, 2023
2023
Accurate Relativistic Real-Time TDDFT for Valence and Core Attosecond Transient Absorption Spectroscopy
T Moitra, L Konecny, M Kadek, A Rubio, M Repisky
arXiv preprint arXiv:2211.16383, 2022
2022
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