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Finite-Size Error in Many-Body Simulations with Long-Range Interactions
Open accessAbstract
We discuss the origin of the finite-size error of the energy in many-body simulation of systems of charged particles and we propose a correction based on the random-phase approximation at long wavelengths. The correction is determined mainly by the collective charge oscillations of the interacting system. Finite-size corrections, both on kinetic and potential energy, can be calculated within a single simulation. Results are presented for the electron gas and silicon.
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Citations
Cites
Twist-averaged boundary conditions in continuum quantum Monte Carlo algorithms
Lin, C., Zong, F. H., & Ceperley, D. M. (2001) · Physical Review E · doi:10.1103/physreve.64.016702 · Cited by 371
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Cited by
Continuum variational and diffusion quantum Monte Carlo calculations
Needs, R. J., Towler, M. D., Drummond, N. D., & López Ríos, P. (2010) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/22/2/023201 · Cited by 403
Nature and Strength of Interlayer Binding in Graphite
Spanu, L., Sorella, S., & Galli, G. (2009) · Physical Review Letters · doi:10.1103/physrevlett.103.196401 · Cited by 277
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
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Metadata
- Authors
- Chiesa, S., Ceperley, D. M., Martin, R. M., & Holzmann, M.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2006-08-18
- Volume
- 97
- Issue
- 7
- Pages
- 076404-076404
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2167298291
- Cited by
- 225
- References
- 1
- FWCI
- 3.44
- Type
- journal article
- Language
- en
- Open access
- green
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