تقرير
Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors
| العنوان: | Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors |
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| المؤلفون: | Svensson, Pontus, Aziz, Yusuf, Dornheim, Tobias, Azadi, Sam, Hollebon, Patrick, Skelt, Amy, Vinko, Sam M., Gregori, Gianluca |
| سنة النشر: | 2024 |
| المجموعة: | Physics (Other) |
| مصطلحات موضوعية: | Physics - Plasma Physics |
| الوصف: | 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 semiclassical method is discussed which is corrected based on known quantum constraints, and secondly, a direct computation of the density-density response function within the molecular dynamics. The wave packet models are compared to PIMC and DFT-MD for the static and low-frequency behaviour. For the high-frequency behaviour the models recover the expected behaviour in the limits of small and large momentum transfers and show the characteristic flattening of the plasmon dispersion for intermediate momentum transfers due to interactions, in agreement with commonly used models for X-ray Thomson scattering. By modelling the electrons and ions on an equal footing, both the ion and free electron part of the spectrum can now be treated within a single framework where we simultaneously resolve the ion-acoustic and plasmon mode, with a self-consistent description of collisions and screening. Comment: 17 pages, 9 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2407.08875 |
| رقم الأكسشن: | edsarx.2407.08875 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |