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Path-Integral Monte Carlo Simulation of the Warm Dense Homogeneous Electron Gas
Open accessAbstract
We perform calculations of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r(s) ≡ (3/4πn)(1/3)a(0)(-1) = 1.0-40.0 and Θ ≡ T/T(F) = 0.0625-8.0) using restricted path-integral Monte Carlo simulations. Precise energies, pair correlation functions, and structure factors are obtained. For all densities, we find a significant discrepancy between the ground state parametrized local density approximation and our results around T(F). These results can be used as a benchmark for developing finite-temperature density functionals, as well as input for orbital-free density function theory formulations.
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Cites
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Self-citationA Guide to Monte Carlo Simulations in Statistical Physics
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Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
The uniform electron gas at warm dense matter conditions
Dornheim, T., Groth, S., & Bonitz, M. (2018) · Physics Reports · doi:10.1016/j.physrep.2018.04.001 · Cited by 264
Metadata
- Authors
- Brown, E. W., Clark, B. K., DuBois, J. L., & Ceperley, D. M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2013-04-05
- Volume
- 110
- Issue
- 14
- Pages
- 146405-146405
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2057881551
- Cited by
- 262
- References
- 20
- FWCI
- 10.11
- Type
- journal article
- Language
- en
- Open access
- green
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