3 papers · 1 filter
Rothe's Method for Quantum Dynamics in Atoms and Molecules with Gaussian Wavepackets
Simon Elias Schrader, Håkon 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…
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…
Gaussians for Electronic and Rovibrational Quantum Dynamics
Aleksander P. Woźniak, Ludwik Adamowicz, Thomas Bondo Pedersen +1
The assumptions underpinning the adiabatic Born-Oppenheimer (BO) approximation are broken for molecules interacting with attosecond laser pulses, which generate complicated coupled…