| Autor: |
R. A. Davis, W. A. Angermeier, R. K. T. Hermsmeier, T. G. White |
| Jazyk: |
angličtina |
| Rok vydání: |
2020 |
| Předmět: |
|
| Zdroj: |
Physical Review Research, Vol 2, Iss 4, p 043139 (2020) |
| Druh dokumentu: |
article |
| ISSN: |
2643-1564 |
| DOI: |
10.1103/PhysRevResearch.2.043139 |
| Popis: |
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/cm^{3}), 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. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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