The DOI matches its Crossref record; 30 of the 30 references it cites were found in a registry or an index.
Correlation energy, structure factor, radial distribution function, and momentum distribution of the spin-polarized uniform electron gas
Abstract
The properties of the three-dimensional uniform electron gas in the Fermi liquid regime are analyzed using variational Monte Carlo (VMC) and fixed-node diffusion Monte Carlo methods. Our study extends those of Ceperley [Phys. Rev. B 18, 3126 (1978)] and Ceperley and Alder [Phys. Rev. Lett. 45, 566 (1980)] to larger system sizes with improved statistics and, more importantly, to partial spin polarization. The density range 0.8\ensuremath{\le}${\mathit{r}}_{\mathit{s}}$\ensuremath{\le}10, which is the most relevant for density functional computations, is studied in detail. We analyze the size dependence of the simulation results and present an extended set of correlation energies extrapolated to the thermodynamic limit. Using the VMC method we analyze the spin dependence of the correlation energy, and we compare our results to several interpolation formulas used in density functional calculations. We summarize our results by a simple interpolation formula. In addition, we present results for the radial distribution function, the structure factor, the momentum distribution, and triplet correlation functions, and we discuss the comparison with many-body semianalytic theories.
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Cites
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Cited by
Phonons and related crystal properties from density-functional perturbation theory
Baroni, S., de Gironcoli, S., Dal Corso, A., & Giannozzi, P. (2001) · Reviews of Modern Physics · doi:10.1103/revmodphys.73.515 · Cited by 10,043
Quantum Monte Carlo simulations of solids
Foulkes, W. M. C., Mitas, L., Needs, R. J., & Rajagopal, G. (2001) · Reviews of Modern Physics · doi:10.1103/revmodphys.73.33 · Cited by 2,336
Libxc: A library of exchange and correlation functionals for density functional theory
Marques, M. A. L., Oliveira, M. J. T., & Burnus, T. (2012) · Computer Physics Communications · doi:10.1016/j.cpc.2012.05.007 · Cited by 592
Efficient Band Gap Prediction for Solids
Chan, M. K. Y., & Ceder, G. (2010) · Physical Review Letters · doi:10.1103/physrevlett.105.196403 · Cited by 494
Correlation Energy and Spin Polarization in the 2D Electron Gas
Attaccalite, C., Moroni, S., Gori-Giorgi, P., & Bachelet, G. B. (2002) · Physical Review Letters · doi:10.1103/physrevlett.88.256601 · Cited by 440
Metadata
- Authors
- Ortiz, G., & Ballone, P.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1994-07-15
- Volume
- 50
- Issue
- 3
- Pages
- 1391-1405
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2005611471
- Cited by
- 302
- References
- 30
- FWCI
- 4.88
- Type
- journal article
- Language
- en
- Open access
- closed
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- Ortiz, G., & Ballone, P. (1994). Correlation energy, structure factor, radial distribution function, and momentum distribution of the spin-polarized uniform electron gas. Physical Review B. https://doi.org/10.1103/physrevb.50.1391
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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