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-ph2026
Ultrafast laser-driven quantum dynamics in positronium chloride
Einar Aurbakken, HÃ¥kon 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…
physics.chem-ph2025
Real-Time Coupled Cluster Theory with Approximate Triples
Zhe Wang, HÃ¥kon Emil Kristiansen, Thomas Bondo Pedersen +1
In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementa…