Torsha Moitra,
Lukas Konecny,
Marius Kadek,
Angel Rubio,
Michal Repisky
:
Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy
The Journal of Physical Chemistry Letters 2023 ARKIV / DOI
Lukas Konecny,
Stanislav Komorovsky,
Jan Vicha,
Kenneth Ruud,
Michal Repisky
:
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
Eirill Strand Hauge,
Håkon Emil Kristiansen,
Lukas Konecny,
Marius Kadek,
Michal Repisky,
Thomas Bondo Pedersen
:
Cost-Efficient High-Resolution Linear Absorption Spectra Through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory
Journal of Chemical Theory and Computation 2023 FULLTEKST / 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