Bilde av Repisky, Michal
Bilde av Repisky, Michal
Department of Chemistry michal.repisky@uit.no Tromsø

Michal Repisky


Researcher, Theoretical and Computational Chemistry, Hylleraas Centre for Quantum Molecular Sciences


  • Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen, Trond Saue :
    Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple
    Journal of Chemical Physics 2022 ARKIV / DOI
  • Debora Misenkova, Florian Lemken, Michal Repisky, Jozef Noga, Olga L. Malkina, Stanislav Komorovsky :
    The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals
    Journal of Chemical Physics 2022 ARKIV / DOI
  • Martin Sojka, Jan Chyba, Shib Shankar Paul, Karolina Wawrocka, Katerina Honigova, Ben Joseph R. Cuyacot et al.:
    Supramolecular coronation of platinum(II) complexes by macrocycles: Structure, relativistic DFT calculations, and biological effects
    Inorganic Chemistry 2021 ARKIV / DOI
  • Bruno Senjean, Souloke Sen, Michal Repisky, Gerald Knizia, Lucas Visscher :
    Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors
    Journal of Chemical Theory and Computation 2021 ARKIV / DOI
  • Johann V. Pototschnig, Anastasios Papadopoulos, Dmitry I. Lyakh, Michal Repisky, Loïc Halbert, Andre Severo Pereira Gomes et al.:
    Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures
    Journal of Chemical Theory and Computation 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
    Inorganic Chemistry 2021 ARKIV / FULLTEKST / DOI
  • Abril C Castro, David Balcells, Michal Repisky, Trygve Helgaker, Michele Cascella :
    First-principles calculation of 1H NMR chemical shifts of complex metal polyhydrides: The essential inclusion of relativity and dynamics
    Inorganic Chemistry 2020 ARKIV / DOI
  • Andrej Antušek, Michal Repisky :
    NMR absolute shielding scales and nuclear magnetic dipole moments of transition metal nuclei
    Physical Chemistry, Chemical Physics - PCCP 2020 DOI
  • Stanislav Komorovsky, Katarzyna Jakubowska, Paweł Świder, Michal Repisky, Michał Jaszuński :
    NMR Spin–Spin Coupling Constants Derived from Relativistic Four-Component DFT Theory—Analysis and Visualization
    Journal of Physical Chemistry A 2020 DOI
  • Michal Repisky, Stanislav Komorovsky, Marius Kadek, Lukas Konecny, Ulf Egil Ekström, Elena Malkin et al.:
    ReSpect: Relativistic spectroscopy DFT program package
    Journal of Chemical Physics 2020 ARKIV / DOI
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions
    Physical review B (PRB) 2019 ARKIV / FULLTEKST / DOI
  • Abril C. Castro, Heike Fliegl, Michele Cascella, Trygve Helgaker, Michal Repisky, Stanislav Komorovsky et al.:
    Four-component relativistic 31P NMR calculations for: Trans -platinum(ii) complexes: Importance of the solvent and dynamics in spectral simulations
    Dalton Transactions 2019 ARKIV / DOI
  • Stanislav Komorovsky, Peter J. Cherry, Michal Repisky :
    Four-component relativistic time-dependent density-functional theory using a stable noncollinear DFT ansatz applicable to both closed- and open-shell systems
    Journal of Chemical Physics 2019 ARKIV / DOI
  • Lukas Konecny, Michal Repisky, Kenneth Ruud, Stanislav Komorovsky :
    Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations
    Journal of Chemical Physics 2019 ARKIV / DOI
  • Lukas Jeremias, Jan Novotny, Michal Repisky, Stanislav Komorovsky, Radek Marek :
    Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes
    Inorganic Chemistry 2018 DOI
  • Benjamin Helmich-Paris, Michal Repisky, Lucas Visscher :
    Relativistic Cholesky-decomposed density matrix MP2
    Chemical Physics 2018 DOI
  • Andrej Antušek, Michal Repisky, Michal Jaszunski, Karol Jackowski, Włodzimierz Makulski, Maria Misiak :
    Nuclear magnetic dipole moment of Bi-209 from NMR experiments
    Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2018 DOI
  • Jan Vicha, Stanislav Komorovsky, Michal Repisky, Radek Marek, Michal Straka :
    Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained
    Journal of Chemical Theory and Computation 2018 DOI
  • Lukas Konecny, Marius Kadek, Stanislav Komorovsky, Kenneth Ruud, Michal Repisky :
    Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies
    Journal of Chemical Physics 2018 ARKIV / DOI
  • Jan Novotny, Jan Vicha, Pankaj L Bora, Michal Repisky, Michal Straka, Stanislav Komorovsky et al.:
    Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling
    Journal of Chemical Theory and Computation 2017 ARKIV / DOI
  • Matti Hanni, Perttu Lantto, Michal Repisky, Jiri Mares, Brian Saam, Juha Vaara :
    Electron and nuclear spin polarization in Rb-Xe spin-exchange optical hyperpolarization
    Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2017 ARKIV / DOI
  • Roberto Di Remigio, Michal Repisky, Stanislav Komorovsky, Peter Hrobárik, Luca Frediani, Kenneth Ruud :
    Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts
    Molecular Physics 2017 DATA / ARKIV / DOI
  • Pi A. B. Haase, Michal Repisky, Stanislav Komorovsky, Jesper Bendix, Stephan P. A. Sauer :
    Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6]2- and [IrF6]2-
    Chemistry - A European Journal 2017 ARKIV / DOI
  • Stanislav Komorovsky, Michal Repisky, Lukas Bucinsky :
    New quantum number for the many-electron Dirac-Coulomb Hamiltonian
    Physical Review A. Atomic, Molecular, and Optical Physics (PRA) 2016 DOI
  • Michal Repisky, Stanislav Komorovsky, Radovan Bast, Kenneth Ruud :
    Relativistic Calculations of Nuclear Magnetic Resonance Parameters
    Royal Society of Chemistry (RSC) 2016 DOI
  • Michał Jaszuński, Andrej Antušek, Taye Beyene Demissie, Stanislav Komorovsky, Michal Repisky, Kenneth Ruud :
    Indirect NMR spin-spin coupling constants in diatomic alkali halides
    Journal of Chemical Physics 2016 ARKIV / DOI
  • Lukas Konecny, Marius Kadek, Stanislav Komorovsky, Olga L. Malkina, Kenneth Ruud, Michal Repisky :
    Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical Properties
    Journal of Chemical Theory and Computation 2016 DOI
  • Benjamin Helmich-Paris, Michal Repisky, Lucas Visscher :
    Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians
    Journal of Chemical Physics 2016 DOI
  • David J. Charboneau, David Balcells, Nilay Hazari, Hannah M.C. Lant, James M. Mayer, Patrick R. Melvin et al.:
    Dinitrogen-facilitated reversible formation of a Si-H bond in a pincer-supported Ni complex
    Organometallics 2016 DOI
  • Raphael Johann Friedrich Berger, Michal Repisky, Stanislav Komorovsky :
    How does relativity affect magnetically induced currents?
    Chemical Communications 2015 ARKIV / DOI
  • Taye Beyene Demissie, Michal Jaszuński, Stanislav Komorovsky, Michal Repisky, Kenneth Ruud :
    Absolute NMR shielding scales and nuclear spin–rotation constants in 175LuX and 197AuX (X= 19F, 35Cl, 79Br and 127I)
    Journal of Chemical Physics 2015 ARKIV / DOI
  • Sebastian Gohr, Peter Hrobárik, Michal Repisky, Stanislav Komorovsky, Kenneth Ruud, Martin Kaupp :
    Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects
    Journal of Physical Chemistry A 2015 ARKIV / DOI
  • Michal Repisky :
    Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple
    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
  • 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
  • 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
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    Full-potential relativistic four-component Dirac-Kohn-Sham method for periodic systems using Gaussian-type functions
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron relativistic four-component Dirac-Kohn-Sham theory for solids using Gaussian-type functions
    2019
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions
    2019
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions
    2019
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions
    2019
  • Lukas Konecny, Marius Kadek, Kenneth Ruud, Michal Repisky :
    Relativistic real-time time-dependent density functional theory for molecular properties
    2019
  • Lukas Konecny, Michal Repisky, Kenneth Ruud, Stanislav Komorovsky :
    Relativistic four-component linear damped response time-dependent density functional theory
    2019
  • Lukas Konecny, Marius Kadek, Mehboob Alam, Kenneth Ruud, Michal Repisky :
    Calculation of Molecular Properties Using Relativistic Real-Time TDDFT
    2019
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    4-component relativistic calculations with periodic boundary conditions
    2017
  • Marius Kadek, Michal Repisky, Kenneth Ruud :
    4-component relativistic calculations with periodic boundary conditions
    2017
  • Stanislav Komorovsky, Michal Repisky :
    New quantum number for the many-electron Dirac-Coulomb Hamiltonian: Theory and first applications
    2017
  • Michal Repisky :
    Real-time propagation of the Kohn-Sham density matrix; a means to determine X-ray absorption spectra
    2017
  • Stanislav Komorovsky, Michal Repisky :
    Advances in relativistic four-component DFT calculations of magnetic properties
    2015

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    Research interests

    Michal Repisky is a researcher at The Hylleraas Centre for Quantum Molecular Sciences, University of Tromsø - The Arctic University of Norway. He received his Ph.D. degree from the Slovak Academy of Sciences in 2009 under supervision of Prof. Vladimir Malkin and spent 3 years as a postdoctoral fellow in Tromsø with Prof. Kenneth Ruud before being employed as a researcher in the group of Prof. Ruud. His main research interests are development and application of modern relativistic ab-initio electronic structure methods based on the two-component and four-component formalism for the study of molecular properties, with a particular focus on magnetic resonance phenomena. Additional interests include response theory for molecules and solids, real-time electron dynamics, and high-performance computing. He is also a team leader behind the development of relativistic quantum chemistry DFT program ReSpect (www.respectprogram.org).

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    Teaching

    Teaching & Supervision:

    • KJE-3102 Computational Chemistry
    • KJE-8104 Relativistic Quantum Chemistry
    • PhD supervisor of Rasmus Vikhamar-Sandberg (2022-present)
    • PhD co-supervisor of Marc Joosten (2017-present)
    • PhD co-supervisor of Marius Kadek (2014-2018)
    • PhD co-supervisor of Lukas Konecny (2013-2017)