Published January 26, 2021 | public
Book Section - Chapter

Electron Dynamics and Electron Transfer

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Abstract

Materials at extreme conditions in which high temperature and pressure are fluctuating rapidly with molecule, atoms, ions and electrons (e.g., plasma) all interacting dynamically has been a no-man's land for atomistic simulations. It is clearly foolhardy to attack this problem with our current tools and methods. Even so Su and Goddard (SG) jumped headlong into the problem, developing the eFF method to describe the non-adiabatic evolution of large-scale quantum systems.

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© Springer Nature Switzerland AG 2021. First Online: 26 January 2021.

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August 20, 2023
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January 15, 2024