Journal article
Fast nonadiabatic dynamics of many-body quantum systems
- Abstract:
- Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of applicability. However, there remain many problems that are intractable for existing methods. In particular, many approaches face a huge computational barrier when modeling large numbers of coupled electrons and ions at finite temperature. Here, we address this shortfall with a new approach to modeling many-body quantum systems. On the basis of the Bohmian trajectory formalism, our new method treats the full particle dynamics with a considerable increase in computational speed. As a result, we are able to perform large-scale simulations of coupled electron-ion systems without using the adiabatic Born-Oppenheimer approximation.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Preview, Version of record, pdf, 517.2KB, Terms of use)
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- Publisher copy:
- 10.1126/sciadv.aaw1634
Authors
- Publisher:
- American Association for the Advancement of Science
- Journal:
- Science Advances More from this journal
- Volume:
- 5
- Issue:
- 11
- Article number:
- eaaw1634
- Publication date:
- 2019-11-22
- Acceptance date:
- 2019-09-25
- DOI:
- EISSN:
-
2375-2548
- Keywords:
- Pubs id:
-
pubs:946672
- UUID:
-
uuid:18eee0bd-ceed-4435-8102-f2c367ac4d9f
- Local pid:
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pubs:946672
- Source identifiers:
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946672
- Deposit date:
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2018-12-29
Terms of use
- Copyright holder:
- Larder et al
- Copyright date:
- 2019
- Notes:
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© 2019 The Authors, some rights reserved; exclusive licensee American Association
for the Advancement of Science. No claim to original U.S. Government Works.
This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license, which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.
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