5 papers
Linear and nonlinear vibrational excitation driven by molecular polaritons
Wenxiang Ying, Carlos M. Bustamante, Franco P. Bonafé +5
Following our recent numerical study [arXiv:2601.16299 (2026)], we investigate vibrational excitation induced by transient optical driving in molecular ensembles strongly coupled t…
Molecular polariton dynamics in realistic cavities
Carlos M. Bustamante, Franco P. Bonafé, Maxim Sukharev +3
The large number of degrees of freedom involved in polaritonic chemistry processes considerably restricts the systems that can be described by any ab initio approach, due to the re…
Attosecond charge transfer in atomic-resolution scanning tunnelling microscopy
Simon Maier, Raffael Spachtholz, Katharina Glöckl +10
Electrons in atoms and molecules move on attosecond time scales. Deciphering their quantum dynamics in space and time calls for high-resolution microscopy at this speed. While scan…
High Harmonic Generation with Orbital Angular Momentum Beams: Beyond-dipole Corrections
Esra Ilke Albar, Valeriia P. Kosheleva, Heiko Appel +2
We study the high harmonic generation with vortex beams beyond the dipole approximation. To do so we employ the full minimal coupling approach to account for multipolar coupling wi…
Full minimal coupling Maxwell-TDDFT: an ab initio framework for light-matter phenomena beyond the dipole approximation
Franco P. Bonafé, Esra Ilke Albar, Sebastian T. Ohlmann +5
We report the first ab initio, non-relativistic QED method that couples light and matter self-consistently beyond the electric dipole approximation and without multipolar truncatio…