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Author

P. Slavíček

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5 papers indexed here

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Open access Sep 2026

Revealing the structural origin of spin-orbit coupling with SOPEL.

Spin-orbit coupling is a key ingredient for many photochemical processes, yet it is commonly reported as an opaque scalar quantity with limited chemical interpretability. Here, we introduce the concept of SOPEL (Spin-Orbit Population ELement), an atom-resolved decomposition of spin-orbit coupling matrix elements (SOCME...

Josef Filgas, P. Slavíček · 0 citations
Open access Oct 2026

Singlet and triplet excitations in C5F10O induced by electrons and photons: Spectroscopy and dynamics.

C5F10O [heptafluoroisopropyl(trifluoromethyl)ketone] has emerged as a promising alternative to sulfur hexafluoride for the use in gas-insulated switchgears. Despite its technological relevance, its interactions with low-energy electrons remain largely unexplored. Electron impact can populate both singlet and triplet el...

Tomáš Ovad, M. Sapunar, Z. Mašín et al. · 0 citations
Open access Sep 2026

Electron force field for radiation chemistry? A critical assessment of a low-cost approach.

The electron force field (eFF) models electrons as Gaussian wave packets whose centers and widths evolve according to classical equations of motion. This unconventional approach allows the simulation of nonadiabatic electron dynamics at a cost comparable to standard molecular dynamics. Herein, we present the first syst...

Tomáš Ovad, P. Slavíček · 0 citations
Preprint Aug 2026

Real-Time Emergence of Charge-Transfer-to-Solvent States from Core Excitation

Charge-transfer-to-solvent (CTTS) excitations provide a chemically central route to generating hydrated electrons and initiating redox chemistry in solution, yet the earliest stage of CTTS---the formation of the excited state itself---is usually treated as instantaneous. Here we present a time-domain perspective of how...

Jiří Suchan, B. S. Fales, Benjamin G. Levine et al. · 0 citations
Open access Sep 2026

Liquid-jet XPS and theoretical computations reveal solvation-driven shifts and deprotonation site in uracil.

Solute-solvent interactions are fundamental to understanding the stability, reactivity, and biological function of molecules. Spectroscopic techniques allow gaining molecular-level insights into these interactions. Here we explore the hydration of uracil, a model system for the behavior of biomolecules in an aqueous en...

Marine Fournier, Martin Procházka, Rémi Dupuy et al. · 0 citations

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