https://doi.org/10.1140/epjs/s11734-023-00906-5
Review
Overview of theoretical research in France on ultrafast processes in molecules
Nantes Université, CNRS, CEISAM, UMR 6230, 44000, Nantes, France
a
morgane.vacher@univ-nantes.fr
Received:
23
January
2023
Accepted:
15
June
2023
Published online:
29
June
2023
Ultrafast processes initiated in molecules by light or collision are extremely widespread. The intrinsic timescale of nuclear motion is the femtosecond (1 fs = 10
s) and the one of electrons, lighter particles, is the attosecond (1 as = 10
s). Dynamics simulations are essential for understanding the mechanism, rate and yield of ultrafast processes. In this article, we review recent theoretical works, performed in France, to describe photon-induced or collision-induced ultrafast processes in molecules. In particular, we discuss recent studies on quantum dynamics of small molecules or Hamiltonian models, and works focused on “on-the-fly” mixed quantum-classical dynamics of molecules. Both state-of-the-art applications and method developments towards overcoming current bottlenecks are presented.
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© The Author(s), under exclusive licence to EDP Sciences, Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
