Data for: On the single-Hessian Gaussian wavepacket dynamics

Infoscience (Ecole Polytechnique Fédérale de Lausanne) 2026 Dataset Open access

Read full text
Authors: Davide Barbiero, Jiří J. L. Vaníček
DOI: 10.5281/zenodo.18609638
Cited by: 0

Abstract

Data for publication: D. Barbiero, J. J. L. Vanicek, On the single-Hessian Gaussian wavepacket dynamics. 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.

Fields of Study & Subjects

Spectroscopy and Quantum Chemical Studies Numerical methods for differential equations Quantum chaos and dynamical systems

Publication details

Journal / source
Infoscience (Ecole Polytechnique Fédérale de Lausanne)
Publication date
11 February 2026
Language
EN
Document type
Dataset