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Inelastic Electron Injection in Water

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Real-Time Quantum Dynamics of Electron–Phonon Systems

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Abstract

When high-energy radiation penetrates living cells, it ionizes molecules along its path and can cause cell death by damaging DNA. Radiation events involve a sequence of processes that ultimately require a clear microscopic understanding [1]. Only about one third of the cellular damage is produced by direct interaction of the ionizing radiation with DNA, while the rest is due to secondary species, produced in the first hundreds to thousands of femtoseconds following the primary irradiation of the system [2].

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Notes

  1. 1.

    Here, by Landauer result we mean the elastic current as an integral of the transmission from Eq. (8.1) without any phonon.

  2. 2.

    We used the software CP2K [24] with PBE functional and a 6311G** basis.

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Authors and Affiliations

  1. Institute of Computational Sciences, Università della Svizzera Italiana, Lugano, Ticino, Switzerland

    Valerio Rizzi

  2. Department of Chemistry and Applied Biosciences, ETH Zürich, Zürich, Switzerland

    Valerio Rizzi

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Rizzi, V. (2018). Inelastic Electron Injection in Water. In: Real-Time Quantum Dynamics of Electron–Phonon Systems. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-96280-1_8

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