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Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas
Open accessAbstract
We propose a simple and accurate model for the electron static structure factors (and corresponding pair-correlation functions) of the three-dimensional unpolarized homogeneous electron gas. Our spin-resolved pair-correlation function is built up with a combination of analytic constraints and fitting procedures to quantum Monte Carlo data, and, in comparison to previous attempts, (i) fulfills more known integral and differential properties of the exact pair-correlation function, (ii) is analytic both in real and in reciprocal space, and (iii) accurately interpolates the newest, extensive diffusion--Monte Carlo data of Ortiz, Harris, and Ballone [Phys. Rev. Lett. 82, 5317 (1999)]. This can be of interest for the study of electron correlations of real materials and for the construction of new exchange and correlation energy density functionals.
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Cites
Norm-Conserving Pseudopotentials
Hamann, D. R., Schlüter, M., & Chiang, C. (1979) · Physical Review Letters · doi:10.1103/physrevlett.43.1494 · Cited by 4,511
Cited by
Electronic Structure: Basic Theory and Practical Methods
Martin, R. M. (2020) · Cambridge University Press eBooks · doi:10.1017/9781108555586 · Cited by 269
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
Path-Integral Monte Carlo Simulation of the Warm Dense Homogeneous Electron Gas
Brown, E. W., Clark, B. K., DuBois, J. L., & Ceperley, D. M. (2013) · Physical Review Letters · doi:10.1103/physrevlett.110.146405 · Cited by 262
Willis, K. J., Hagness, S. C., & Knezevic, I. (2013) · Applied Physics Letters · doi:10.1063/1.4798658 · Cited by 60
Metadata
- Authors
- Gori-Giorgi, P., Sacchetti, F., & Bachelet, G. B.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2000-03-15
- Volume
- 61
- Issue
- 11
- Pages
- 7353-7363
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W1993870146
- Cited by
- 188
- References
- 1
- FWCI
- 5.69
- Type
- journal article
- Language
- en
- Open access
- green
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