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Electron Dynamics and Electron Transfer

Goddard, William A., III (2021) Electron Dynamics and Electron Transfer. In: Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile. Springer Series in Materials Science. No.284. Springer International Publishing , Cham, pp. 1055-1062. ISBN 978-3-030-18777-4.

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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.

Item Type:Book Section
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Goddard, William A., III0000-0003-0097-5716
Additional Information:© Springer Nature Switzerland AG 2021. First Online: 26 January 2021.
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Series Name:Springer Series in Materials Science
Issue or Number:284
Record Number:CaltechAUTHORS:20210127-070137028
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:107738
Deposited By: Tony Diaz
Deposited On:27 Jan 2021 19:22
Last Modified:16 Nov 2021 19:05

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