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.chem-ph2025
Time-dependent Gaussian basis sets for many-body systems using Rothe's method: A mean-field study
Simon Elias Schrader, HÃ¥kon Emil Kristiansen, Thomas Bondo Pedersen +1
A challenge in modeling time-dependent strong-field processes such as high-harmonic generation for many-body systems, is how to effectively represent the electronic continuum. We a…
physics.chem-ph2024
Multidimensional quantum dynamics with explicitly correlated Gaussian wave packets using Rothe's method
Simon Elias Schrader, Thomas Bondo Pedersen, Simen Kvaal
In a previous publication [J. Chem. Phys., 161, 044105 (2024)], it has been shown that Rothe's method can be used to solve the time-dependent Schrödinger equation (TDSE) for the h…