Výsledky vyhledávání - "Konečný, Lukáš"

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Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory

Autor: Konecny, Lukas, Kosheleva, Valeriia P., Appel, Heiko, Ruggenthaler, Michael, Rubio, Angel

We present the theoretical derivation and numerical implementation of the linear response equations for relativistic quantum electrodynamical density functional theory (QEDFT). In contrast to previous works based on the Pauli-Fierz Hamiltonian, our a

Externí odkaz: http://arxiv.org/abs/2407.02441

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Relativistic Real-Time Methods

Autor: Kadek, Marius, Konecny, Lukas, Repisky, Michal

Recent advances in laser technology enable to follow electronic motion at its natural time-scale with ultrafast pulses, leading the way towards atto- and femtosecond spectroscopic experiments of unprecedented resolution. Understanding of these laser-

Externí odkaz: http://arxiv.org/abs/2307.05242

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Cost-Efficient High-Resolution Linear Absorption Spectra Through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

Autor: Hauge, Eirill, Kristiansen, Håkon Emil, Konecny, Lukas, Kadek, Marius, Repisky, Michal, Pedersen, Thomas Bondo

We present a novel function fitting method for approximating the propagation of the time-dependent electric dipole moment from real-time electronic structure calculations. Real-time calculations of the electronic absorption spectrum require discrete

Externí odkaz: http://arxiv.org/abs/2307.01511

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Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy

Autor: Moitra, Torsha, Konecny, Lukas, Kadek, Marius, Rubio, Angel, Repisky, Michal

First principle theoretical modeling of out-of-equilibrium processes observed in attosecond pump-probe transient absorption spectroscopy (TAS) triggering pure electron dynamics remains a challenging task, specially for heavy elements and/or core exci

Externí odkaz: http://arxiv.org/abs/2211.16383

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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

Autor: Konecny, Lukas, Komorovsky, Stanislav, Vicha, Jan, Ruud, Kenneth, Repisky, Michal

X-ray absorption spectroscopy (XAS) has gained popularity in recent years as it probes matter with high spatial and elemental sensitivity. However, the theoretical modelling of XAS is a challenging task since XAS spectra feature a fine structure due

Externí odkaz: http://arxiv.org/abs/2211.16378

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Dissertation/ Thesis

Příprava metodiky pro zjištění míry chelatace iontů vápníku a hořčíku

Autor: Konečný, Lukáš

Charles University Faculty of Pharmacy in Hradec Králové Department of Pharmacology and Toxicology Candidate: Lukáš Konečný Supervisor: prof. Přemysl Mladěnka, Pharm.D., Ph.D. Title of Thesis: Preparation of a method for detection of the exte

Externí odkaz: http://www.nusl.cz/ntk/nusl-446097

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Dissertation/ Thesis

Analýza sekretomu cerkárií Trichobilharzia regenti a charakterizace vybraných peptidáz

Autor: Konečný, Lukáš

(English): Trichobilharzia regenti is a neurotropic parasite of birds from the family Schistosomatidae. Cercariae, the invasive stages of these trematodes actively penetrate the host skin employing excretory- secretory products (ESPs), which contain

Externí odkaz: http://www.nusl.cz/ntk/nusl-397284

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