Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid
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arXiv
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| Auteurs principaux: | , , , |
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| Format: | Preprint |
| Publié: |
2024
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| _version_ | 1866929282861760512 |
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| author | Tolias, Panagiotis Castello, Federico Lucco Kalkavouras, Fotios Dornheim, Tobias |
| author_facet | Tolias, Panagiotis Castello, Federico Lucco Kalkavouras, Fotios Dornheim, Tobias |
| contents | The finite temperature version of the Vashishta-Singwi (VS) dielectric scheme for the paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier thermodynamic derivative error. The VS scheme handles quantum mechanical effects at the level of the random phase approximation and treats correlations via the density expansion of a generalized Singwi-Tosi-Land-Sjölander (STLS) closure that inserts a parameter determined by enforcing the compressibility sum rule. Systematic comparison with quasi-exact results, based on quantum Monte Carlo simulations, reveals a structural superiority of the VS scheme towards strong coupling and a thermodynamic superiority of the STLS scheme courtesy of a favorable cancellation of errors. Guidelines are provided for the construction of dielectric schemes that are expected to be more accurate but computationally costly. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_08502 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid Tolias, Panagiotis Castello, Federico Lucco Kalkavouras, Fotios Dornheim, Tobias Quantum Gases Statistical Mechanics Plasma Physics The finite temperature version of the Vashishta-Singwi (VS) dielectric scheme for the paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier thermodynamic derivative error. The VS scheme handles quantum mechanical effects at the level of the random phase approximation and treats correlations via the density expansion of a generalized Singwi-Tosi-Land-Sjölander (STLS) closure that inserts a parameter determined by enforcing the compressibility sum rule. Systematic comparison with quasi-exact results, based on quantum Monte Carlo simulations, reveals a structural superiority of the VS scheme towards strong coupling and a thermodynamic superiority of the STLS scheme courtesy of a favorable cancellation of errors. Guidelines are provided for the construction of dielectric schemes that are expected to be more accurate but computationally costly. |
| title | Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid |
| topic | Quantum Gases Statistical Mechanics Plasma Physics |
| url | https://arxiv.org/abs/2401.08502 |