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Modelling of warm dense hydrogen via explicit real time electron dynamics: dynamic structure factors

Abstract:

We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave packet description which resolves the electron dynamics during ion evolution. Firstly, a semi-classical method is discussed, which is corrected based on known quantum constraints, and secondly, a direct computation of the density response function within the molecular dynamics. The wave packet mod...

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Publication status:
Accepted
Peer review status:
Peer reviewed

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Funder identifier:
https://ror.org/0439y7842
Grant:
EP/W010097/1
Publisher:
American Physical Society
Journal:
Physical Review E More from this journal
Acceptance date:
2024-10-08
EISSN:
2470-0053
ISSN:
2470-0045
Language:
English
Keywords:
Pubs id:
2037290
Local pid:
pubs:2037290
Deposit date:
2024-10-09

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