Lukas Konecny
Postdoktor, Teoretisk og beregningsbasert kjemi, Hylleraas-senteret
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 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
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
Michal Repisky,
Stanislav Komorovsky,
Marius Kadek,
Lukas Konecny,
Ulf Egil Ekström,
Elena Malkin
m.fl.:
ReSpect: Relativistic spectroscopy DFT program package
Lukas Konecny,
Michal Repisky,
Kenneth Ruud,
Stanislav Komorovsky
:
Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations
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
Lukas Konecny,
Valeriia Kosheleva,
Michael Ruggenthaler,
Angel Rubio
:
Linear Response in Relativistic Quantum-Electrodynamical Time-Dependent Density Functional Theory
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
Lukas Konecny
:
Relativistic four-component and X2C linear damped response TDDFT for XAS near L- and M-edges: theory and benchmarks
2020
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
De 50 siste resultatene fra Cristin vises på siden. Se alle arbeider i Cristin her →