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Fast nonadiabatic dynamics of many-body quantum systems
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Larder, B., Gericke, Dirk O., Richardson, S., Mabey, P., White, T. G. and Gregori, G. (2019) Fast nonadiabatic dynamics of many-body quantum systems. Science Advances, 5 (11). eaaw1634. doi:10.1126/sciadv.aaw1634 ISSN 2375-2548.
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WRAP-fast-nonadiabatic-dynamics-many-body-quantum-systems-Gericke-2019.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons: Attribution-Noncommercial 4.0. Download (517Kb) | Preview |
Official URL: https://doi.org/10.1126/sciadv.aaw1634
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.
| Item Type: | Journal Article | ||||||||||||||||||
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| Subjects: | Q Science > QC Physics | ||||||||||||||||||
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||||||||||||||
| SWORD Depositor: | Library Publications Router | ||||||||||||||||||
| Library of Congress Subject Headings (LCSH): | Adiabatic invariants, Quantum systems, Molecular dynamics | ||||||||||||||||||
| Journal or Publication Title: | Science Advances | ||||||||||||||||||
| Publisher: | American Association for the Advancement of Science | ||||||||||||||||||
| ISSN: | 2375-2548 | ||||||||||||||||||
| Official Date: | 1 November 2019 | ||||||||||||||||||
| Dates: |
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| Volume: | 5 | ||||||||||||||||||
| Number: | 11 | ||||||||||||||||||
| Article Number: | eaaw1634 | ||||||||||||||||||
| DOI: | 10.1126/sciadv.aaw1634 | ||||||||||||||||||
| Status: | Peer Reviewed | ||||||||||||||||||
| Publication Status: | Published | ||||||||||||||||||
| Reuse Statement (publisher, data, author rights): | ** From Europe PMC via Jisc Publications Router ** History: ppub 01-11-2019; epub 22-11-2019. ** Licence for this article: cc by-nc | ||||||||||||||||||
| Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||||||||
| Date of first compliant deposit: | 15 January 2020 | ||||||||||||||||||
| Date of first compliant Open Access: | 15 January 2020 | ||||||||||||||||||
| RIOXX Funder/Project Grant: |
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