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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. https://resolver.caltech.edu/CaltechAUTHORS:20210127-070137028

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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.


Item Type:Book Section
Related URLs:
URLURL TypeDescription
https://doi.org/10.1007/978-3-030-18778-1_44DOIArticle
ORCID:
AuthorORCID
Goddard, William A., III0000-0003-0097-5716
Additional Information:© Springer Nature Switzerland AG 2021. First Online: 26 January 2021.
Other Numbering System:
Other Numbering System NameOther Numbering System ID
WAG1439
Series Name:Springer Series in Materials Science
Issue or Number:284
Record Number:CaltechAUTHORS:20210127-070137028
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20210127-070137028
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:107738
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:27 Jan 2021 19:22
Last Modified:06 Jun 2021 06:18

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