Full symmetry-breaking of electronic and nuclear dynamics for low attosecond resolution of electronic chirality
Fuente:
arXiv
Gespeichert in:
| Hauptverfasser: | , , , , , , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2026
|
| Schlagworte: | |
| Online-Zugang: | |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866910030945583104 |
|---|---|
| author | Xu, Tianlv Kong, Jiawen Zhou, Tianjing Wang, Yan Tu, Jingqin Azizi, Alireza Kirk, Steven R. Jenkins, Samantha |
| author_facet | Xu, Tianlv Kong, Jiawen Zhou, Tianjing Wang, Yan Tu, Jingqin Azizi, Alireza Kirk, Steven R. Jenkins, Samantha |
| contents | Attosecond science is an emerging topic where chirality plays a central role. Here we demonstrate subjecting iodoacetylene, a geometrically achiral molecule, to a pair of simulated non-ionizing ultrafast circularly polarized laser pulses at the highest time resolution to date, by two orders of magnitude (3.87 attoseconds), of the continuously-valued S and R electronic chirality assignments. We partner the only vector-based quantum chemical physics theory enabling full symmetry-breaking with electronic and nuclear dynamics simulations: the former does not require charge density differences or special symmetry positions. The resulting 'easy' and 'hard' directions of the total electronic charge density motion are quantified as a cardioid-like morphology for the duration of the simulated laser pulses and toroidal afterwards. Future research directions include determination of the underlying mechanism governing chiral induced spin selectivity, in addition to application to chiral spin selective phenomena in opto-spintronics and exotic superconductors, partnered with orbital-free density functional theory (OF-DFT). |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2601_07193 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Full symmetry-breaking of electronic and nuclear dynamics for low attosecond resolution of electronic chirality Xu, Tianlv Kong, Jiawen Zhou, Tianjing Wang, Yan Tu, Jingqin Azizi, Alireza Kirk, Steven R. Jenkins, Samantha Chemical Physics Attosecond science is an emerging topic where chirality plays a central role. Here we demonstrate subjecting iodoacetylene, a geometrically achiral molecule, to a pair of simulated non-ionizing ultrafast circularly polarized laser pulses at the highest time resolution to date, by two orders of magnitude (3.87 attoseconds), of the continuously-valued S and R electronic chirality assignments. We partner the only vector-based quantum chemical physics theory enabling full symmetry-breaking with electronic and nuclear dynamics simulations: the former does not require charge density differences or special symmetry positions. The resulting 'easy' and 'hard' directions of the total electronic charge density motion are quantified as a cardioid-like morphology for the duration of the simulated laser pulses and toroidal afterwards. Future research directions include determination of the underlying mechanism governing chiral induced spin selectivity, in addition to application to chiral spin selective phenomena in opto-spintronics and exotic superconductors, partnered with orbital-free density functional theory (OF-DFT). |
| title | Full symmetry-breaking of electronic and nuclear dynamics for low attosecond resolution of electronic chirality |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2601.07193 |