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 | ||||||
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| 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 | ||||||
| DOI: | 10.1007/978-3-030-18778-1_44 | ||||||
| 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: | 16 Nov 2021 19:05 |
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