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Lukas Konecny
Lukas Konecny
Hylleraas Centre for Quantum Molecular Sciences, UiT The Arctic University of Norway, Tromsø
Adresse e-mail validée de uit.no - 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
109*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
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
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
Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations
L Konecny, M Repisky, K Ruud, S Komorovsky
The Journal of Chemical Physics 151 (19), 2019
182019
Accurate x-ray absorption spectra near L-and M-edges from relativistic four-component damped response time-dependent density functional theory
L Konecny, J Vicha, S Komorovsky, K Ruud, M Repisky
Inorganic Chemistry 61 (2), 830-846, 2021
132021
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
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
L Konecny, S Komorovsky, J Vicha, K Ruud, M Repisky
The Journal of Physical Chemistry A 127 (5), 1360-1376, 2023
42023
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
Linear response in relativistic quantum-electrodynamical density functional theory
L Konecny, V Kosheleva, H Appel, A Rubio, M Ruggenthaler
Bulletin of the American Physical Society, 2023
2023
Modern exact two-component Hamiltonians for relativistic quantum chemistry and physics: Two-electron picture-change corrections made simple
M Repisky, S Knecht, HJA Jensen, T Saue, L Konecny, N Team
APS March Meeting Abstracts 2023, K17. 008, 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
Relativistic real-time time-dependent density functional theory for molecular properties
L Konecny, M Kadek, K Ruud, M Repisky
APS March Meeting Abstracts 2019, F20. 011, 2019
2019
Calculation of Molecular Properties from Relativistic Electron Dynamics
L Konecny, M Kadek, S Komorovsky, M Repisky, O Malkin, V Malkin, ...
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