Published May 8, 2026
| Version v2
Dataset
Open
Data for: On the single-Hessian Gaussian wavepacket dynamics
Authors/Creators
-
1.
École Polytechnique Fédérale de Lausanne
- 2. École Polytechnique Fédérale de Lausanne (EPFL)
Description
Data for publication: D. Barbiero, J. J. L. Vanicek, On the single-Hessian Gaussian wavepacket dynamics, J. Chem. Phys. 164 (2026).
Contains data for all figures of the abovementioned publication, including simulated photoelectron spectrum of difluorocarbene anion, simulated absorption spectrum of methylamine, numerical analysis of the geometric properties of single-Hessian Gaussian wavepacket dynamics, and numerical analysis of the geometric integrators developed for the single-Hessian Gaussian wavepacket dynamics.
Files
Data.zip
Files
(7.0 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:d6b84a2503786d990f3577a257feec75
|
7.0 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Preprint: arXiv:2605.07440 (arXiv)
- Journal article: 10.1063/5.0327624 (DOI)