3 papers
physics.chem-ph2026
Rothe's Method for Quantum Dynamics in Atoms and Molecules with Gaussian Wavepackets
Simon Elias Schrader, HÃ¥kon Emil Kristiansen, Aleksander P. Wozniak +3
Capable of capturing both bound and continuum quantum dynamics, Gaussian wavepackets are highly attractive basis functions for simulating laser-driven processes in atoms and molecu…
physics.bio-ph2025
Binding of native DNA to MoS nanoflakes: the role of defects and edge atoms of MoS nanostructures in their biofunctionalization
Alexander Glamazda, Evgeniya Usenko, Anastasiia Svidzerska +7
In this work, the binding of native DNA to MoS nanoflakes (FLs) was studied by using UV-visible absorption spectroscopy, thermal denaturation method, transmission electron mi…
physics.chem-ph2025
Rothe Time Propagation for Coupled Electronic and Rovibrational Quantum Dynamics
Aleksander P. Woźniak, Ludwik Adamowicz, Thomas Bondo Pedersen +1
When time-propagating a wave packet representing a molecular system interacting with strong attosecond laser pulses, one needs to use an approach that is capable of describing intr…