148 citations · 815 across the 47 of their papers we have counts for
48 papers
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…
Ultrafast laser-driven quantum dynamics in positronium chloride
Einar Aurbakken, Håkon Emil Kristiansen, Simen Kvaal +2
We present a computational study of the laser-driven quantum dynamics of positronium (Ps), PsH, and PsCl at the time-dependent Hartree-Fock level of theory. To eliminate finite-bas…
Reduced Density Matrix Functional Theory And A Reduced Formulation Of Density Functional Theory
Håkon R. Fredheim, Simen Kvaal
A mathematical framework for reduced density matrix functional theory (RDMFT) is proposed. The work is inspired by and generalizes the work by E.H.~Lieb [E.H. Lieb, Int. J. Quant.…
Time-dependent Gaussian basis sets for many-body systems using Rothe's method: A mean-field study
Simon Elias Schrader, Håkon 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…
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…
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 hy…