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Ion Modes in Dense Ionized Plasmas through Non-Adiabatic Molecular Dynamics
- Source :
- Phys. Rev. Research 2, 043139 (2020)
- Publication Year :
- 2020
-
Abstract
- We perform nonadiabatic simulations of warm dense aluminum based on the electron-force field (EFF) variant of wave-packet molecular dynamics. Comparison of the static ion-ion structure factor with density functional theory (DFT) is used to validate the technique across a range of temperatures and densities spanning the warm dense matter regime. Focusing on a specific temperature and density (3.5 eV, 5.2 g/cm3), we report on differences in the dynamic structure factor and dispersion relation across a variety of adiabatic and nonadiabatic techniques. We find the dispersion relation produced with EFF is in close agreement with the more robust and adiabatic Kohn-Sham DFT.<br />Comment: 7 pages and 5 figures in the main manuscript; typos corrected; final version of publication
Details
- Database :
- arXiv
- Journal :
- Phys. Rev. Research 2, 043139 (2020)
- Publication Type :
- Report
- Accession number :
- edsarx.2003.05566
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1103/PhysRevResearch.2.043139