Thawed Gaussian Ehrenfest dynamics at conical intersections: When can a single mean-field trajectory capture internal conversion?

Physical Chemistry Chemical Physics 2026 Open access

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Authors: Alan Scheidegger, Jiří J. L. Vaníček
DOI: 10.1039/d6cp02706g
Cited by: 0

Abstract

The thawed Gaussian Ehrenfest dynamics is a single-trajectory method that partially includes both nuclear quantum and electronically nonadiabatic effects by combining the thawed Gaussian wavepacket dynamics with Ehrenfest dynamics. First,...

Fields of Study & Subjects

Spectroscopy and Quantum Chemical Studies Quantum chaos and dynamical systems Quantum superfluid helium dynamics

Publication details

Journal / source
Physical Chemistry Chemical Physics
Publication date
1 January 2026
Language
EN