| 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 | 107 | 2020 |
| 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 | 93 | 2015 |
| 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 | 72 | 2015 |
| 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 | 65 | 2016 |
| 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 | 36 | 2019 |
| 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 | 26 | 2018 |
| 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 | 13 | 2023 |
| 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 | 12 | 2021 |
| Relativistic Spectroscopy DFT Program ReSpect M Repisky, S Komorovsky, VG Malkin, OL Malkina, M Kaupp, K Ruud, ... Developer Version 5 (0), 2020 | 11 | 2020 |
| 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 | 8 | 2022 |
| 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 | 5 | 2023 |
| Relativistic Spectroscopy DFT Program ReSpect, Developer Version 4.0. 0; 2017 M Repisky, S Komorovsky, VG Malkin, OL Malkina, M Kaupp, K Ruud, ... | 3 | |
| 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 | 1 | 2023 |
| Advancing relativistic electronic structure methods for solids and in the time domain M Kadek UiT Norges arktiske universitet, 2018 | 1 | 2018 |
| Electric field gradients at the nuclei from all-electron four-component relativistic density functional theory using Gaussian-type orbitals M Joosten, M Repisky, M Kadek, P Pyykkö, K Ruud Physical Review B 110 (4), 045141, 2024 | | 2024 |
| Relativistic Real-Time Methods M Kadek, L Konecny, M Repisky arXiv preprint arXiv:2307.05242, 2023 | | 2023 |
| Band structures and invariants of two-dimensional transition metal dichalcogenide monolayers from fully-relativistic Dirac-Kohn-Sham theory using Gaussian … M Kadek, B Wang, M Joosten, WC Chiu, F Mairesse, M Repisky, K Ruud, ... arXiv preprint arXiv:2302.00041, 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 e-prints, 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 |
| 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, ... APS March Meeting Abstracts 2023, Y59. 006, 2023 | | 2023 |
Michal RepiskyHylleraas Centre for Quantum Molecular Sciences, University of Tromsø, NorwayVerified email at uit.no
