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Auteurs principaux: Tu, Matisse Wei-Yuan, Gross, E. K. U.
Format: Preprint
Publié: 2025
Sujets:
Accès en ligne:https://arxiv.org/abs/2502.08247
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  • We describe a novel approach to subsystem decoherence without the usual tracing-out of the environment. The subsystem of focus is described entirely by a pure state evolving non-unitarily along a single classical trajectory of its environment. The approach is deduced from the exact factorization framework for arbitrary systems of electrons and nuclei. The non-unitarity of the electronic dynamics arises exclusively fromnon-adiabatic correlations between electrons and nuclei. We demonstrate that the approach correctly describes the coherence gain and the subsequent decoherence for the example of a nuclear trajectory passing through an avoided crossing, the prototypical case where single-trajectory Ehrenfest dynamics fails to produce decoherence.