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| Main Authors: | , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2502.08247 |
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Table of Contents:
- 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.