{"paper":{"title":"Rothe's Method for Quantum Dynamics in Atoms and Molecules with Gaussian Wavepackets","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Aleksander P. Wozniak, H{\\aa}kon Emil Kristiansen, Ludwik Adamowicz, Simen Kvaal, Simon Elias Schrader, Thomas Bondo Pedersen","submitted_at":"2026-06-18T21:23:59Z","abstract_excerpt":"Capable of capturing both bound and continuum quantum dynamics, Gaussian wavepackets are highly attractive basis functions for simulating laser-driven processes in atoms and molecules. Unfortunately, fully flexible Gaussian wavepackets are exceedingly challenging to propagate in a numerically stable manner within the framework of conventional time-dependent variational principles. In this chapter, we discuss the sources of the numerical issues and review an alternative approach, Rothe's method, that offers a route to improved numerical stability. Recent proof-of-concept simulations based on Ro"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.20947","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2606.20947/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}