The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
A diffusion Monte Carlo algorithm with very small time-step errors
Open accessAbstract
We propose modifications to the simple diffusion Monte Carlo algorithm that greatly reduce the time-step error. The improved algorithm has a time-step error smaller by a factor of 70 to 300 in the energy of Be, Li2 and Ne. For other observables the improvement is yet larger. The effective time step possible with the improved algorithm is typically a factor of a few hundred larger than the time step used in domain Green function Monte Carlo. We also present an optimized 109 parameter trial wave function for Be which, used in combination with our algorithm, yields an exceedingly accurate ground state energy. A simple solution to the population control bias in diffusion Monte Carlo is also discussed.
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Cites
Equation of State Calculations by Fast Computing Machines
Metropolis, N., Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H., & Teller, E. (1953) · The Journal of Chemical Physics · doi:10.1063/1.1699114 · Cited by 37,192
Cited by
Quantum Monte Carlo Approaches for Correlated Systems
Becca, F., & Sorella, S. (2017) · doi:10.1017/9781316417041 · Cited by 523
Correlated sampling in quantum Monte Carlo: A route to forces
Filippi, C., & Umrigar, C. J. (2000) · Physical Review B · doi:10.1103/physrevb.61.r16291 · Cited by 121
Self-citationA Casimir turning point as the beginning of a small flat universe
Zhang, A. (2026) · arXiv · doi:10.48550/arxiv.2610.24905
“The wall respects Gauss’s law and is the only node of the walled ground state, so DMC [97–99] for the full zero-mode Hamiltonian in all sixteen coordinates, Eq.”
Metadata
- Authors
- Umrigar, C. J., Nightingale, M. P., & Runge, K. J.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1993-08-15
- Volume
- 99
- Issue
- 4
- Pages
- 2865-2890
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2016853087
- Cited by
- 532
- References
- 1
- FWCI
- 8.59
- Type
- journal article
- Language
- en
- Open access
- green
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- Umrigar, C. J., Nightingale, M. P., & Runge, K. J. (1993). A diffusion Monte Carlo algorithm with very small time-step errors. The Journal of Chemical Physics. https://doi.org/10.1063/1.465195
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