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M

Michal Repiský

Comenius University

30H-index
114Paper Count
2.8KCitation Count
Published Papers 44
Publication Date
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Electric field gradients at the nuclei from all-electron four-component relativistic density functional theory using Gaussian-type orbitals
errPHYSICAL REVIEW B
IF3.7
err2024-07-23
err2
errOAAI
errJoosten, Marc; Repisky, Michal; Kadek, Marius; Pyykko, Pekka; Ruud, Kenneth
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Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-24
err3
errOAAI
errHauge, Eirill; Kristiansen, Hakon Emil; Konecny, Lukas; Kadek, Marius; Repisky, Michal; Pedersen, Thomas Bondo
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Band structures and Z2 invariants of two-dimensional transition metal dichalcogenide monolayers from fully relativistic Dirac-Kohn-Sham theory using Gaussian-type orbitals
errPHYSICAL REVIEW MATERIALS
IF3.4
err2023-06-02
err4
errOAAI
errKadek, Marius; Wang, Baokai; Joosten, Marc; Chiu, Wei-Chi; Mairesse, Francois; Repisky, Michal; Ruud, Kenneth; Bansil, Arun
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The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-31
err1
errOAAI
errMisenkova, Debora; Lemken, Florian; Repisky, Michal; Noga, Jozef; Malkina, Olga L. L.; Komorovsky, Stanislav
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Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-19
err26
errOAAI
errKnecht, Stefan; Repisky, Michal; Jensen, Hans Jorgen Aagaard; Saue, Trond
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Accurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory
errINORGANIC CHEMISTRY
IF4.7
err2021-12-27
err16
errOAAI
errKonecny, Lukas; Vicha, Jan; Komorovsky, Stanislav; Ruud, Kenneth; Repisky, Michal
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Supramolecular Coronation of Platinum(II) Complexes by Macrocycles: Structure, Relativistic DFT Calculations, and Biological Effects
errINORGANIC CHEMISTRY
IF4.7
err2021-11-05
err10
errOAAI
errSojka, Martin; Chyba, Jan; Paul, Shib Shankar; Wawrocka, Karolina; Honigova, Katerina; Cuyacot, Ben Joseph R.; Castro, Abril C.; Vaculovic, Tomas; Marek, Jaromir; Repisky, Michal; Masarik, Michal; Novotny, Jan; Marek, Radek
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Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-08-09
err17
errOAAI
errPototschnig, Johann, V; Papadopoulos, Anastasios; Lyakh, Dmitry, I; Repisky, Michal; Halbert, Loic; Gomes, Andre Severo Pereira; Jensen, Hans Jorgen Aa; Visscher, Lucas
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Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-02-08
err28
errOAAI
errSenjean, Bruno; Sen, Souloke; Repisky, Michal; Knizia, Gerald; Visscher, Lucas
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First-Principles Calculation of 1H NMR Chemical Shifts of Complex Metal Polyhydrides: The Essential Inclusion of Relativity and Dynamics
errINORGANIC CHEMISTRY
IF4.7
err2020-11-23
err14
errOAAI
errCastro, Abril C.; Balcells, David; Repisky, Michal; Helgaker, Trygve; Cascella, Michele
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ReSpect: Relativistic spectroscopy DFT program package
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-11
err87
errOAAI
errRepisky, Michal; Komorovsky, Stanislav; Kadek, Marius; Konecny, Lukas; Ekstrom, Ulf; Malkin, Elena; Kaupp, Martin; Ruud, Kenneth; Malkina, Olga L.; Malkin, Vladimir G.
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Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-11-21
err17
errOAAI
errKonecny, Lukas; Repisky, Michal; Ruud, Kenneth; Komorovsky, Stanislav
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Four-component relativistic time-dependent density-functional theory using a stable noncollinear DFT ansatz applicable to both closed- and open-shell systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-11-14
err33
errOAAI
errKomorovsky, Stanislav; Cherry, Peter J.; Repisky, Michal
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All-electron fully relativistic Kohn-Sham theory for solids based on the Dirac-Coulomb Hamiltonian and Gaussian-type functions
errPHYSICAL REVIEW B
IF3.7
err2019-05-03
err28
errOAAI
errKadek, Marius; Repisky, Michal; Ruud, Kenneth
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Four-component relativistic 31P NMR calculations for trans-platinum(II) complexes: importance of the solvent and dynamics in spectral simulations
errDALTON TRANSACTIONS
IF3.3
err2019-01-01
err18
errOAAI
errCastro, Abril C.; Fliegl, Heike; Cascella, Michele; Helgaker, Trygve; Repisky, Michal; Komorovsky, Stanislav; Angeles Medrano, Maria; Quiroga, Adoracion G.; Swart, Marcel
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Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-11-27
err22
errOAAI
errKonecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Ruud, Kenneth; Repisky, Michal
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Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes
errINORGANIC CHEMISTRY
IF4.7
err2018-07-13
err13
errOAAI
errJeremias, Lukas; Novotny, Jan; Repisky, Michal; Komorovsky, Stanislav; Marek, Radek
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Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-04-20
err61
PREAI
errVicha, Jan; Komorovsky, Stanislav; Repisky, Michal; Marek, Radek; Straka, Michal
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Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6]2- and [IrF6]2-
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2017-12-04
err14
errOAAI
errHaase, Pi A. B.; Repisky, Michal; Komorovsky, Stanislav; Bendix, Jesper; Sauer, Stephan P. A.
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Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-07-26
err55
errOAAI
errNovotny, Jan; Vicha, Jan; Bora, Pankaj L.; Repisky, Michal; Straka, Michal; Komorovsky, Stanislav; Marek, Radek
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Research Directions

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Co-authors
Cooperation Journals
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Ángel Rubio
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Trygve Helgaker
H-index: 87 · Papers: 435
J
Jürgen Gauß
H-index: 85 · Papers: 450
A
Arun Bansil
H-index: 81 · Papers: 917
P
Pekka Pyykkö
H-index: 79 · Papers: 389
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