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arXiv · 2112.11784

Propagation of Coherent States through Conical Intersections

Clotilde Fermanian Kammerer·Stephanie Gamble·Lysianne Hari
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Abstract

In this paper, we analyze the propagation of a wave packet through a conical intersection. This question has been addressed for Gaussian wave packets in the 90s by George Hagedorn and we consider here a more general setting. We focus on the case of Schr{\"o}dinger equation but our methods are general enough to be adapted to systems presenting codimension 2 crossings and to codimension 3 ones with specific geometric conditions. Our main Theorem gives explicit transition formulas for the profiles when passing through a conical crossing point, including precise computation of the transformation of the phase. Its proof is based on a normal form approach combined with the use of superadiabatic projectors and the analysis of their degeneracy close to the crossing.

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Clotilde Fermanian Kammerer, Stephanie Gamble, Lysianne Hari. 2021-12-22. Propagation of Coherent States through Conical Intersections. https://doi.org/10.2140/paa.2023.5.323

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